2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide

C21H26N2O2 — CID 9240215

IUPAC2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
SMILESCCCCCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-4-6-15-20(24)23-19-14-10-9-13-18(19)21(25)22-16(2)17-11-7-5-8-12-17/h5,7-14,16H,3-4,6,15H2,1-2H3,(H,22,25)(H,23,24)/t16-/m0/s1
InChIKeySKEVCMJFRUVYSE-INIZCTEOSA-N
MW338.45 g/mol
LogP4.70
Rot. Bonds8

About 2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide

2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 9240215) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
PubChem CID9240215
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
SMILESCCCCCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-4-6-15-20(24)23-19-14-10-9-13-18(19)21(25)22-16(2)17-11-7-5-8-12-17/h5,7-14,16H,3-4,6,15H2,1-2H3,(H,22,25)(H,23,24)/t16-/m0/s1
InChIKeySKEVCMJFRUVYSE-INIZCTEOSA-N
XLogP4.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
CID 4157890
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 92540792
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 92540793
2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 100600751
2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 8766894
2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2463988
2-(hexacosanoylamino)benzoic acid
CID 123304158
2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 8714570
2-[[2-(2-methylphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 16557303
N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515353

Frequently Asked Questions

What is the IUPAC name of 2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide (CID 9240215) is 2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide is CCCCCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is SKEVCMJFRUVYSE-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-4-6-15-20(24)23-19-14-10-9-13-18(19)21(25)22-16(2)17-11-7-5-8-12-17/h5,7-14,16H,3-4,6,15H2,1-2H3,(H,22,25)(H,23,24)/t16-/m0/s1.
What are the key properties of 2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide?
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 9240215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).