4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide

C19H23N3O2 — CID 119303517

IUPAC4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide
SMILESNCCCC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c20-13-4-7-18(23)22-17-10-8-16(9-11-17)19(24)21-14-12-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14,20H2,(H,21,24)(H,22,23)
InChIKeyDEHMYODXAQKSLM-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.34
Rot. Bonds8

About 4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide

4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide (PubChem CID 119303517) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide
PubChem CID119303517
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide
SMILESNCCCC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c20-13-4-7-18(23)22-17-10-8-16(9-11-17)19(24)21-14-12-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14,20H2,(H,21,24)(H,22,23)
InChIKeyDEHMYODXAQKSLM-UHFFFAOYSA-N
XLogP2.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide
CID 119749170
N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide
CID 121062141
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
methyl 3-[[4-(4-aminobutanoylamino)benzoyl]amino]propanoate
CID 119277505
4-(4-benzamidobutanoylamino)benzamide
CID 29374160
N-[2-(4-fluorophenyl)ethyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119562
2,2-dimethyl-4-oxo-4-[4-(2-phenylethylcarbamoyl)anilino]butanoic acid
CID 119133692
3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride
CID 119315336
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-[3-oxo-3-[4-(2-phenylethylsulfamoyl)anilino]propyl]benzamide
CID 17154573
4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide
CID 170362896

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide (CID 119303517) is 4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide is NCCCC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide?
The InChIKey is DEHMYODXAQKSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c20-13-4-7-18(23)22-17-10-8-16(9-11-17)19(24)21-14-12-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14,20H2,(H,21,24)(H,22,23).
What are the key properties of 4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide?
4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 119303517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).