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

C20H25N3O2 — CID 119303509

IUPAC4-(2-aminopentanoylamino)-N-(2-phenylethyl)benzamide
SMILESCCCC(N)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-2-6-18(21)20(25)23-17-11-9-16(10-12-17)19(24)22-14-13-15-7-4-3-5-8-15/h3-5,7-12,18H,2,6,13-14,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyFPGBNIPRRKXBDZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.72
Rot. Bonds8

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

4-(2-aminopentanoylamino)-N-(2-phenylethyl)benzamide (PubChem CID 119303509) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(2-aminopentanoylamino)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(2-aminopentanoylamino)-N-(2-phenylethyl)benzamide
PubChem CID119303509
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-(2-aminopentanoylamino)-N-(2-phenylethyl)benzamide
SMILESCCCC(N)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-2-6-18(21)20(25)23-17-11-9-16(10-12-17)19(24)22-14-13-15-7-4-3-5-8-15/h3-5,7-12,18H,2,6,13-14,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyFPGBNIPRRKXBDZ-UHFFFAOYSA-N
XLogP2.72
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-(2-phenylethyl)benzamide;hydrochloride
CID 119749201
4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119827831
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
3-[4-[[(2S)-2-aminopentanoyl]amino]phenyl]propanoic acid
CID 107570295
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride
CID 119268408
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
2-amino-N-(4-phenylmethoxyphenyl)pentanamide;hydrochloride
CID 119261538
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
2-amino-N-(5-phenylpentyl)pentanamide;hydrochloride
CID 119317079

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopentanoylamino)-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-(2-aminopentanoylamino)-N-(2-phenylethyl)benzamide (CID 119303509) is 4-(2-aminopentanoylamino)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-(2-aminopentanoylamino)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-(2-aminopentanoylamino)-N-(2-phenylethyl)benzamide is CCCC(N)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-(2-aminopentanoylamino)-N-(2-phenylethyl)benzamide?
The InChIKey is FPGBNIPRRKXBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-6-18(21)20(25)23-17-11-9-16(10-12-17)19(24)22-14-13-15-7-4-3-5-8-15/h3-5,7-12,18H,2,6,13-14,21H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-(2-aminopentanoylamino)-N-(2-phenylethyl)benzamide?
4-(2-aminopentanoylamino)-N-(2-phenylethyl)benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopentanoylamino)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 119303509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).