3-(aminomethyl)-N,N-dibutylbenzamide

C16H26N2O — CID 28982335

IUPAC3-(aminomethyl)-N,N-dibutylbenzamide
SMILESCCCCN(CCCC)C(=O)c1cccc(CN)c1
InChIInChI=1S/C16H26N2O/c1-3-5-10-18(11-6-4-2)16(19)15-9-7-8-14(12-15)13-17/h7-9,12H,3-6,10-11,13,17H2,1-2H3
InChIKeyAZIWURJYXIQFOE-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.19
Rot. Bonds8

About 3-(aminomethyl)-N,N-dibutylbenzamide

3-(aminomethyl)-N,N-dibutylbenzamide (PubChem CID 28982335) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-dibutylbenzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-dibutylbenzamide
PubChem CID28982335
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(aminomethyl)-N,N-dibutylbenzamide
SMILESCCCCN(CCCC)C(=O)c1cccc(CN)c1
InChIInChI=1S/C16H26N2O/c1-3-5-10-18(11-6-4-2)16(19)15-9-7-8-14(12-15)13-17/h7-9,12H,3-6,10-11,13,17H2,1-2H3
InChIKeyAZIWURJYXIQFOE-UHFFFAOYSA-N
XLogP3.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-N,N-dibutylbenzamide 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

3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide
CID 102978276
3-N,3-N-didodecylbenzene-1,3-dicarboxamide
CID 70541618
3-amino-N,N-didecylbenzamide
CID 19389018
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695114
3-methyl-N,N-di(undecyl)benzamide
CID 533252
3-fluoro-N,N-di(nonyl)benzamide
CID 533098
3-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide
CID 54906297
N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide
CID 60766751
N,N-dibutylnaphthalene-2-carboxamide
CID 154151885
hexyl 3-(aminomethyl)benzoate
CID 61302496
3-[butyl(2-methoxyethyl)carbamoyl]benzoic acid
CID 120691896
3-benzamido-N,N-dibutylbenzamide
CID 4270775

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-dibutylbenzamide?
The IUPAC name of 3-(aminomethyl)-N,N-dibutylbenzamide (CID 28982335) is 3-(aminomethyl)-N,N-dibutylbenzamide.
What is the SMILES notation for 3-(aminomethyl)-N,N-dibutylbenzamide?
The canonical SMILES for 3-(aminomethyl)-N,N-dibutylbenzamide is CCCCN(CCCC)C(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N,N-dibutylbenzamide?
The InChIKey is AZIWURJYXIQFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-5-10-18(11-6-4-2)16(19)15-9-7-8-14(12-15)13-17/h7-9,12H,3-6,10-11,13,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N,N-dibutylbenzamide?
3-(aminomethyl)-N,N-dibutylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-dibutylbenzamide is sourced from PubChem (CID 28982335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).