Carbanilic acid, 4-butoxy-2-methyl-, 2-(dimethylamino)ethyl ester

HCID 46130

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 63986-37-8
Standard SMILES: CCCCOc1ccc(NC(=O)OCCN(C)C)c(C)c1
InChIKey: ZBUKIEULLTVRKM-UHFFFAOYSA-N
Molecular formula: C16H26N2O3
Average molar mass: 294.39 g/mol
Monoisotopic mass: 294.1943427

Names & identifiers

Preferred name: Carbanilic acid, 4-butoxy-2-methyl-, 2-(dimethylamino)ethyl ester
IUPAC: 2-(dimethylamino)ethyl N-(4-butoxy-2-methylphenyl)carbamate

Names & synonyms

KL 361163986-37-8CARBANILIC ACID, 4-BUTOXY-2-METHYL-, 2-(DIMETHYLAMINO)ETHYL ESTER2-(Dimethylamino)ethyl 4-butoxy-2-methylcarbanilate4-Butoxy-2-methylcarbanilic acid (2-dimethylamino)ethyl esterDTXSID30213904RefChem:332981DTXCID201363952-(Dimethylamino)ethyl (4-butoxy-2-methylphenyl)carbamate

Database identifiers

CAS: 63986-37-8
PubChem CID: 46130
DTXSID: DTXSID30213904

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 50.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 21
Formal charge: 0
Complexity: 297

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…