2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide

C27H30N2O3 — CID 2463988

IUPAC2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C27H30N2O3/c1-3-4-10-19-32-23-17-15-22(16-18-23)26(30)29-25-14-9-8-13-24(25)27(31)28-20(2)21-11-6-5-7-12-21/h5-9,11-18,20H,3-4,10,19H2,1-2H3,(H,28,31)(H,29,30)/t20-/m0/s1
InChIKeyVTUQUYRILRKYLR-FQEVSTJZSA-N
MW430.55 g/mol
LogP6.00
Rot. Bonds10

About 2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide

2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 2463988) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID2463988
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C27H30N2O3/c1-3-4-10-19-32-23-17-15-22(16-18-23)26(30)29-25-14-9-8-13-24(25)27(31)28-20(2)21-11-6-5-7-12-21/h5-9,11-18,20H,3-4,10,19H2,1-2H3,(H,28,31)(H,29,30)/t20-/m0/s1
InChIKeyVTUQUYRILRKYLR-FQEVSTJZSA-N
XLogP6.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 8714570
N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide
CID 4938490
2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4935218
2-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 17112659
2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 8766894
2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 17141286
N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933761
methyl 2-[(4-pentoxybenzoyl)amino]benzoate
CID 4935100
2-[(4-pentoxybenzoyl)carbamothioylamino]-N-propan-2-ylbenzamide
CID 4935900
2-[(4-heptoxybenzoyl)carbamothioylamino]-N-propan-2-ylbenzamide
CID 4951008
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215
2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 2943396

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide (CID 2463988) is 2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide is CCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is VTUQUYRILRKYLR-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-3-4-10-19-32-23-17-15-22(16-18-23)26(30)29-25-14-9-8-13-24(25)27(31)28-20(2)21-11-6-5-7-12-21/h5-9,11-18,20H,3-4,10,19H2,1-2H3,(H,28,31)(H,29,30)/t20-/m0/s1.
What are the key properties of 2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 430.55 g/mol, XLogP of 6.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 2463988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).