N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide

C17H19N3O2 — CID 82034348

IUPACN-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2NC(=O)CCN)cc1
InChIInChI=1S/C17H19N3O2/c1-12-6-8-13(9-7-12)17(22)20-15-5-3-2-4-14(15)19-16(21)10-11-18/h2-9H,10-11,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyKFBHWCNXNKWSOV-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.53
Rot. Bonds5

About N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide

N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide (PubChem CID 82034348) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide
PubChem CID82034348
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2NC(=O)CCN)cc1
InChIInChI=1S/C17H19N3O2/c1-12-6-8-13(9-7-12)17(22)20-15-5-3-2-4-14(15)19-16(21)10-11-18/h2-9H,10-11,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyKFBHWCNXNKWSOV-UHFFFAOYSA-N
XLogP2.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-aminopropanoylamino)phenyl]-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

N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide
CID 39192976
N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide
CID 82034457
N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide
CID 39192988
N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide
CID 39194039
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide
CID 82034350
N-(2-acetamido-5-methylphenyl)-3-aminopropanamide
CID 82034596
N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide
CID 92944462
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
4-chloro-N-[2-(4-methylanilino)phenyl]benzamide
CID 108767264
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide?
The IUPAC name of N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide (CID 82034348) is N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccccc2NC(=O)CCN)cc1.
What is the InChIKey of N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide?
The InChIKey is KFBHWCNXNKWSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-6-8-13(9-7-12)17(22)20-15-5-3-2-4-14(15)19-16(21)10-11-18/h2-9H,10-11,18H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide?
N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide has a molecular weight of 297.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide is sourced from PubChem (CID 82034348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).