N-(3-acetamidophenyl)-2-aminobutanediamide

C12H16N4O3 — CID 60847053

IUPACN-(3-acetamidophenyl)-2-aminobutanediamide
SMILESCC(=O)Nc1cccc(NC(=O)C(N)CC(N)=O)c1
InChIInChI=1S/C12H16N4O3/c1-7(17)15-8-3-2-4-9(5-8)16-12(19)10(13)6-11(14)18/h2-5,10H,6,13H2,1H3,(H2,14,18)(H,15,17)(H,16,19)
InChIKeyFVJAXLMTOXLKFD-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.21
Rot. Bonds5

About N-(3-acetamidophenyl)-2-aminobutanediamide

N-(3-acetamidophenyl)-2-aminobutanediamide (PubChem CID 60847053) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-aminobutanediamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-aminobutanediamide
PubChem CID60847053
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC NameN-(3-acetamidophenyl)-2-aminobutanediamide
SMILESCC(=O)Nc1cccc(NC(=O)C(N)CC(N)=O)c1
InChIInChI=1S/C12H16N4O3/c1-7(17)15-8-3-2-4-9(5-8)16-12(19)10(13)6-11(14)18/h2-5,10H,6,13H2,1H3,(H2,14,18)(H,15,17)(H,16,19)
InChIKeyFVJAXLMTOXLKFD-UHFFFAOYSA-N
XLogP-0.21
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(3-acetamidophenyl)-2-aminobutanediamide 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-(3-ethylphenyl)butanediamide
CID 54928255
(2S)-2-amino-N-[3-(dimethylamino)phenyl]butanediamide
CID 110482736
N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide
CID 60980162
N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
2-amino-N-phenylbutanediamide;dihydrochloride
CID 70455433
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
2-amino-N-[3-(carbamoylamino)phenyl]butanamide
CID 43710987
2-amino-N-[3-(cyclopropylcarbamoyl)phenyl]butanediamide
CID 61252820
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-aminobutanediamide?
The IUPAC name of N-(3-acetamidophenyl)-2-aminobutanediamide (CID 60847053) is N-(3-acetamidophenyl)-2-aminobutanediamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-aminobutanediamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-aminobutanediamide is CC(=O)Nc1cccc(NC(=O)C(N)CC(N)=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-aminobutanediamide?
The InChIKey is FVJAXLMTOXLKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-7(17)15-8-3-2-4-9(5-8)16-12(19)10(13)6-11(14)18/h2-5,10H,6,13H2,1H3,(H2,14,18)(H,15,17)(H,16,19).
What are the key properties of N-(3-acetamidophenyl)-2-aminobutanediamide?
N-(3-acetamidophenyl)-2-aminobutanediamide has a molecular weight of 264.29 g/mol, XLogP of -0.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-aminobutanediamide is sourced from PubChem (CID 60847053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).