N-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide

C19H23N3O3 — CID 39193798

IUPACN-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(C)c2)cc1NC(=O)CCCN
InChIInChI=1S/C19H23N3O3/c1-13-5-3-6-14(11-13)19(24)21-15-8-9-17(25-2)16(12-15)22-18(23)7-4-10-20/h3,5-6,8-9,11-12H,4,7,10,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWDGHDQXISHENJM-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.93
Rot. Bonds7

About N-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide

N-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide (PubChem CID 39193798) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide
PubChem CID39193798
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(C)c2)cc1NC(=O)CCCN
InChIInChI=1S/C19H23N3O3/c1-13-5-3-6-14(11-13)19(24)21-15-8-9-17(25-2)16(12-15)22-18(23)7-4-10-20/h3,5-6,8-9,11-12H,4,7,10,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWDGHDQXISHENJM-UHFFFAOYSA-N
XLogP2.93
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-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

N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
CID 39193375
N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide
CID 39184908
5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 46323224
N-[3-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906799
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide
CID 39185870
N-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide
CID 46323234
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 3503389
N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide
CID 2210417
N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide
CID 120559883
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide
CID 39193427
N-(5-acetamido-2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 51224557

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide?
The IUPAC name of N-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide (CID 39193798) is N-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide is COc1ccc(NC(=O)c2cccc(C)c2)cc1NC(=O)CCCN.
What is the InChIKey of N-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide?
The InChIKey is WDGHDQXISHENJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-5-3-6-14(11-13)19(24)21-15-8-9-17(25-2)16(12-15)22-18(23)7-4-10-20/h3,5-6,8-9,11-12H,4,7,10,20H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide?
N-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide has a molecular weight of 341.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide is sourced from PubChem (CID 39193798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).