3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide

C15H23N3O3 — CID 103154850

IUPAC3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)CC(CN)OC)c1
InChIInChI=1S/C15H23N3O3/c1-4-17-15(20)11-6-5-10(2)13(7-11)18-14(19)8-12(9-16)21-3/h5-7,12H,4,8-9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyPJEMEBOAUHGKJG-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.05
Rot. Bonds7

About 3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide

3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide (PubChem CID 103154850) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide
PubChem CID103154850
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)CC(CN)OC)c1
InChIInChI=1S/C15H23N3O3/c1-4-17-15(20)11-6-5-10(2)13(7-11)18-14(19)8-12(9-16)21-3/h5-7,12H,4,8-9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyPJEMEBOAUHGKJG-UHFFFAOYSA-N
XLogP1.05
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-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

3-(7-aminoheptanoylamino)-N-ethyl-4-methylbenzamide
CID 119714202
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide
CID 120592838
3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 119284386
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 60867288
2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide
CID 60849802
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 87001573
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide
CID 54862801
4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide
CID 131895786
methyl 3-[[4-[(4-amino-3-methoxybutanoyl)amino]benzoyl]amino]propanoate
CID 120587768

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide (CID 103154850) is 3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NC(=O)CC(CN)OC)c1.
What is the InChIKey of 3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide?
The InChIKey is PJEMEBOAUHGKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-17-15(20)11-6-5-10(2)13(7-11)18-14(19)8-12(9-16)21-3/h5-7,12H,4,8-9,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide?
3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide has a molecular weight of 293.37 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 103154850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).