N-[4-(hexadecylamino)benzoyl]-2-methylalanine

HCID 20437359
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Basic information

Standard SMILES
CCCCCCCCCCCCCCCCNc1ccc(C(=O)NC(C)(C)C(=O)O)cc1
InChIKey
QFVJFKAUPIFRBZ-UHFFFAOYSA-N
Molecular formula
C27H46N2O3
Average molar mass
446.7 g/mol

Names & identifiers

Preferred name
N-[4-(hexadecylamino)benzoyl]-2-methylalanine
IUPAC
2-[[4-(hexadecylamino)benzoyl]amino]-2-methylpropanoic acid

Names & synonyms

CHEMBL30958SCHEMBL11066189QFVJFKAUPIFRBZ-UHFFFAOYSA-NN-[4-(hexadecylamino)benzoyl]-2-methylalanineN-[4-(hexadecylamino)benzoyl]-2-aminoisobutyric acid

Database identifiers

PubChem CID
20437359
ChEMBL
CHEMBL30958

Properties

Computed structural properties

XLogP
9.1
Topological polar surface area
78.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
19
Heavy atoms
32

Related reactions

7 records
New reaction record

Compound notes

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