4-(3-aminobutylamino)-2-methylbenzamide

C12H19N3O — CID 81279593

IUPAC4-(3-aminobutylamino)-2-methylbenzamide
SMILESCc1cc(NCCC(C)N)ccc1C(N)=O
InChIInChI=1S/C12H19N3O/c1-8-7-10(15-6-5-9(2)13)3-4-11(8)12(14)16/h3-4,7,9,15H,5-6,13H2,1-2H3,(H2,14,16)
InChIKeyYXLUGJNYLZQXCV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.24
Rot. Bonds5

About 4-(3-aminobutylamino)-2-methylbenzamide

4-(3-aminobutylamino)-2-methylbenzamide (PubChem CID 81279593) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(3-aminobutylamino)-2-methylbenzamide.

Molecular Properties

Compound Name4-(3-aminobutylamino)-2-methylbenzamide
PubChem CID81279593
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-(3-aminobutylamino)-2-methylbenzamide
SMILESCc1cc(NCCC(C)N)ccc1C(N)=O
InChIInChI=1S/C12H19N3O/c1-8-7-10(15-6-5-9(2)13)3-4-11(8)12(14)16/h3-4,7,9,15H,5-6,13H2,1-2H3,(H2,14,16)
InChIKeyYXLUGJNYLZQXCV-UHFFFAOYSA-N
XLogP1.24
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(3-aminobutylamino)-2-methylbenzamide 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

4-[2-(ethylamino)ethylamino]-2-methylbenzamide
CID 81279586
4-(4-carbamoyl-3-methylanilino)-3-methylbutanoic acid
CID 81273308
4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide
CID 114384441
4-[2-(4-methoxyphenyl)ethylamino]-2-methylbenzamide
CID 71978056
1-N-(4-methyl-3-nitrophenyl)butane-1,3-diamine
CID 63251626
4-(3-bromo-4-carbamoylanilino)-2-methylbutanoic acid
CID 107275586
N-(3-aminobutyl)-2,4-dimethylbenzamide
CID 63254051
4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbenzenecarbothioamide
CID 81278583
5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid
CID 81269584
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
3-(4-carbamoyl-3-methylanilino)-3-methylbutanoic acid
CID 81273843
2-methyl-4-(piperidin-4-ylmethylamino)benzamide
CID 81279242

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminobutylamino)-2-methylbenzamide?
The IUPAC name of 4-(3-aminobutylamino)-2-methylbenzamide (CID 81279593) is 4-(3-aminobutylamino)-2-methylbenzamide.
What is the SMILES notation for 4-(3-aminobutylamino)-2-methylbenzamide?
The canonical SMILES for 4-(3-aminobutylamino)-2-methylbenzamide is Cc1cc(NCCC(C)N)ccc1C(N)=O.
What is the InChIKey of 4-(3-aminobutylamino)-2-methylbenzamide?
The InChIKey is YXLUGJNYLZQXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-7-10(15-6-5-9(2)13)3-4-11(8)12(14)16/h3-4,7,9,15H,5-6,13H2,1-2H3,(H2,14,16).
What are the key properties of 4-(3-aminobutylamino)-2-methylbenzamide?
4-(3-aminobutylamino)-2-methylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobutylamino)-2-methylbenzamide is sourced from PubChem (CID 81279593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).