N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide

C27H30N2O3 — CID 28638882

IUPACN-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C27H30N2O3/c1-2-3-4-8-18-32-25-16-14-22(15-17-25)27(31)29-24-13-9-12-23(19-24)26(30)28-20-21-10-6-5-7-11-21/h5-7,9-17,19H,2-4,8,18,20H2,1H3,(H,28,30)(H,29,31)
InChIKeyLOTLGQIBUPSHLW-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.83
Rot. Bonds11

About N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide

N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide (PubChem CID 28638882) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide
PubChem CID28638882
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C27H30N2O3/c1-2-3-4-8-18-32-25-16-14-22(15-17-25)27(31)29-24-13-9-12-23(19-24)26(30)28-20-21-10-6-5-7-11-21/h5-7,9-17,19H,2-4,8,18,20H2,1H3,(H,28,30)(H,29,31)
InChIKeyLOTLGQIBUPSHLW-UHFFFAOYSA-N
XLogP5.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.83
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

N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413
N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide
CID 28638954
3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17222708
N-butyl-3-[(4-heptoxybenzoyl)amino]benzamide
CID 17196990
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-benzyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842997
N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17219011
3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167860
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide?
The IUPAC name of N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide (CID 28638882) is N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide?
The canonical SMILES for N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide is CCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide?
The InChIKey is LOTLGQIBUPSHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-2-3-4-8-18-32-25-16-14-22(15-17-25)27(31)29-24-13-9-12-23(19-24)26(30)28-20-21-10-6-5-7-11-21/h5-7,9-17,19H,2-4,8,18,20H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide?
N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide has a molecular weight of 430.55 g/mol, XLogP of 5.83, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide is sourced from PubChem (CID 28638882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).