3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide

C19H23N3O2 — CID 54795481

IUPAC3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C19H23N3O2/c1-13(2)21-19(24)15-7-5-8-16(12-15)22-18(23)11-10-14-6-3-4-9-17(14)20/h3-9,12-13H,10-11,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyUTYLMGGFXKRUHP-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.98
Rot. Bonds6

About 3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide

3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide (PubChem CID 54795481) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide
PubChem CID54795481
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C19H23N3O2/c1-13(2)21-19(24)15-7-5-8-16(12-15)22-18(23)11-10-14-6-3-4-9-17(14)20/h3-9,12-13H,10-11,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyUTYLMGGFXKRUHP-UHFFFAOYSA-N
XLogP2.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-aminophenyl)propanoylamino]benzoic acid
CID 107272917
4-[3-(2-aminophenyl)propanoylamino]-3-methyl-N-propan-2-ylbenzamide
CID 120609602
3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide
CID 54795525
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
3-[3-(2-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54795446
3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 120608573
3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride
CID 120609902
3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 120609510
ethyl 2-[[4-[3-(2-aminophenyl)propanoylamino]benzoyl]amino]propanoate;hydrochloride
CID 120611424
N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide
CID 120608696
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide
CID 81075273

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide (CID 54795481) is 3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NC(=O)CCc2ccccc2N)c1.
What is the InChIKey of 3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide?
The InChIKey is UTYLMGGFXKRUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)21-19(24)15-7-5-8-16(12-15)22-18(23)11-10-14-6-3-4-9-17(14)20/h3-9,12-13H,10-11,20H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide?
3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54795481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).