2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide

C13H18N4O3 — CID 60847281

IUPAC2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)C(N)CC(N)=O
InChIInChI=1S/C13H18N4O3/c1-17(2)13(20)8-5-3-4-6-10(8)16-12(19)9(14)7-11(15)18/h3-6,9H,7,14H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyDUMHTBZXAPAUTD-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.47
Rot. Bonds5

About 2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide

2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide (PubChem CID 60847281) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide
PubChem CID60847281
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)C(N)CC(N)=O
InChIInChI=1S/C13H18N4O3/c1-17(2)13(20)8-5-3-4-6-10(8)16-12(19)9(14)7-11(15)18/h3-6,9H,7,14H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyDUMHTBZXAPAUTD-UHFFFAOYSA-N
XLogP-0.47
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide 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-[(2,4-diamino-4-oxobutanoyl)amino]benzoic acid
CID 61157183
2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide
CID 54928517
2-[2-[(2,4-diamino-4-oxobutanoyl)amino]phenyl]acetic acid
CID 62536880
N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196582
2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide
CID 65226220
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
CID 81075404
2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide
CID 103154460
N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide
CID 4943067
2-amino-N-phenylbutanediamide;dihydrochloride
CID 70455433
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]butanediamide
CID 61167372
2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide
CID 18660310

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide?
The IUPAC name of 2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide (CID 60847281) is 2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide?
The canonical SMILES for 2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide is CN(C)C(=O)c1ccccc1NC(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide?
The InChIKey is DUMHTBZXAPAUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-17(2)13(20)8-5-3-4-6-10(8)16-12(19)9(14)7-11(15)18/h3-6,9H,7,14H2,1-2H3,(H2,15,18)(H,16,19).
What are the key properties of 2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide?
2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide has a molecular weight of 278.31 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide is sourced from PubChem (CID 60847281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).