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N-(2-amino-4-methoxycarbonylaminophenyl)-2-dimethylaminoacetamide

HCID 21483024
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)Nc1ccc(NC(=O)CN(C)C)c(N)c1
InChIKey
OJTZRMFLFYCPRQ-UHFFFAOYSA-N
Molecular formula
C12H18N4O3
Average molar mass
266.3 g/mol

Names & identifiers

Preferred name
N-(2-amino-4-methoxycarbonylaminophenyl)-2-dimethylaminoacetamide
IUPAC
methyl N-[3-amino-4-[[2-(dimethylamino)acetyl]amino]phenyl]carbamate

Names & synonyms

OJTZRMFLFYCPRQ-UHFFFAOYSA-NN-(2-amino-4-methoxycarbonylaminophenyl)-2-dimethylaminoacetamide

Database identifiers

PubChem CID
21483024

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
96.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
322

Related reactions

4 records
New reaction record
HRID 93154 reaction equation
HRID 93154As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 693371 reaction equation
HRID 693371As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1415647 reaction equation
HRID 1415647As reactantuspto-grants-1977_01
HRID 1415650 reaction equation
HRID 1415650As productuspto-grants-1977_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes