2,3-diamino-N-hexadecylbenzamide

C23H41N3O — CID 68850287

IUPAC2,3-diamino-N-hexadecylbenzamide
SMILESCCCCCCCCCCCCCCCCNC(=O)c1cccc(N)c1N
InChIInChI=1S/C23H41N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-23(27)20-17-16-18-21(24)22(20)25/h16-18H,2-15,19,24-25H2,1H3,(H,26,27)
InChIKeyFIEHXZKSACBDKL-UHFFFAOYSA-N
MW375.60 g/mol
LogP6.06
Rot. Bonds16

About 2,3-diamino-N-hexadecylbenzamide

2,3-diamino-N-hexadecylbenzamide (PubChem CID 68850287) has the molecular formula C23H41N3O and a molecular weight of 375.60 g/mol. Its IUPAC name is 2,3-diamino-N-hexadecylbenzamide.

Molecular Properties

Compound Name2,3-diamino-N-hexadecylbenzamide
PubChem CID68850287
Molecular FormulaC23H41N3O
Molecular Weight375.60 g/mol
Exact Mass375.32
IUPAC Name2,3-diamino-N-hexadecylbenzamide
SMILESCCCCCCCCCCCCCCCCNC(=O)c1cccc(N)c1N
InChIInChI=1S/C23H41N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-23(27)20-17-16-18-21(24)22(20)25/h16-18H,2-15,19,24-25H2,1H3,(H,26,27)
InChIKeyFIEHXZKSACBDKL-UHFFFAOYSA-N
XLogP6.06
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 56.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,3-diamino-N-hexadecylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-dodecylbenzamide
CID 54099396
2-amino-3-nitro-N-octylbenzamide
CID 115936915
1-(2,3-diaminophenyl)octadecan-1-one
CID 68839218
2,3-difluoro-N-pentylbenzamide
CID 62649821
2,3-dimethyl-N-octadecylbenzamide
CID 174462915
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
N-dodecylnaphthalene-1-carboxamide
CID 4278758
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
N-hexyl-2-methylbenzamide
CID 3017102
2-chloro-N-undecylbenzamide
CID 3373978
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2,4-diamino-N-hexylbenzamide
CID 61111728

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-N-hexadecylbenzamide?
The IUPAC name of 2,3-diamino-N-hexadecylbenzamide (CID 68850287) is 2,3-diamino-N-hexadecylbenzamide.
What is the SMILES notation for 2,3-diamino-N-hexadecylbenzamide?
The canonical SMILES for 2,3-diamino-N-hexadecylbenzamide is CCCCCCCCCCCCCCCCNC(=O)c1cccc(N)c1N.
What is the InChIKey of 2,3-diamino-N-hexadecylbenzamide?
The InChIKey is FIEHXZKSACBDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-23(27)20-17-16-18-21(24)22(20)25/h16-18H,2-15,19,24-25H2,1H3,(H,26,27).
What are the key properties of 2,3-diamino-N-hexadecylbenzamide?
2,3-diamino-N-hexadecylbenzamide has a molecular weight of 375.60 g/mol, XLogP of 6.06, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-N-hexadecylbenzamide is sourced from PubChem (CID 68850287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).