N-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide

C26H29N3O2 — CID 123327979

IUPACN-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide
SMILESNCCCC(NC(=O)c1ccccc1-c1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C26H29N3O2/c27-18-9-16-24(26(31)28-19-17-20-10-3-1-4-11-20)29-25(30)23-15-8-7-14-22(23)21-12-5-2-6-13-21/h1-8,10-15,24H,9,16-19,27H2,(H,28,31)(H,29,30)
InChIKeyGGPQNBRPZJSQKD-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.55
Rot. Bonds10

About N-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide

N-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide (PubChem CID 123327979) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide
PubChem CID123327979
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide
SMILESNCCCC(NC(=O)c1ccccc1-c1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C26H29N3O2/c27-18-9-16-24(26(31)28-19-17-20-10-3-1-4-11-20)29-25(30)23-15-8-7-14-22(23)21-12-5-2-6-13-21/h1-8,10-15,24H,9,16-19,27H2,(H,28,31)(H,29,30)
InChIKeyGGPQNBRPZJSQKD-UHFFFAOYSA-N
XLogP3.55
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide
CID 68725551
N-[(2R)-1-amino-4-phenylbutan-2-yl]-2-phenylbenzamide
CID 68727278
N-[(2S)-6-amino-1-(4-methylanilino)-1-oxohexan-2-yl]-2-phenylbenzamide
CID 91127715
N-[(2S)-1-oxo-5-piperidin-1-yl-1-[2-[4-(trifluoromethyl)phenyl]ethylamino]pentan-2-yl]-2-phenylbenzamide
CID 72548109
(2R)-5-amino-2-[[(2R)-3-methylsulfanyl-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]-N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]pentanamide
CID 10462337
(2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide
CID 20662234
N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide
CID 155427764
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
CID 54553924
N-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide
CID 72547640
2-N-[(2S)-6-amino-1-(hexadecylamino)-1-oxohexan-2-yl]-1-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 139804241
N-[(4S)-4-(1-benzofuran-2-carbonylamino)-5-oxo-5-(2-phenylethylamino)pentyl]-1-benzofuran-2-carboxamide
CID 141117128
N-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide
CID 68727121

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide?
The IUPAC name of N-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide (CID 123327979) is N-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide.
What is the SMILES notation for N-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide?
The canonical SMILES for N-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide is NCCCC(NC(=O)c1ccccc1-c1ccccc1)C(=O)NCCc1ccccc1.
What is the InChIKey of N-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide?
The InChIKey is GGPQNBRPZJSQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c27-18-9-16-24(26(31)28-19-17-20-10-3-1-4-11-20)29-25(30)23-15-8-7-14-22(23)21-12-5-2-6-13-21/h1-8,10-15,24H,9,16-19,27H2,(H,28,31)(H,29,30).
What are the key properties of N-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide?
N-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide has a molecular weight of 415.54 g/mol, XLogP of 3.55, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide is sourced from PubChem (CID 123327979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).