N-(1-benzyl-5-oxo-2H-azepin-6-yl)-4-phenylmethoxybenzamide

C27H24N2O3 — CID 54086523

IUPACN-(1-benzyl-5-oxo-2H-azepin-6-yl)-4-phenylmethoxybenzamide
SMILESO=C1C=CCN(Cc2ccccc2)C=C1NC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H24N2O3/c30-26-12-7-17-29(18-21-8-3-1-4-9-21)19-25(26)28-27(31)23-13-15-24(16-14-23)32-20-22-10-5-2-6-11-22/h1-16,19H,17-18,20H2,(H,28,31)
InChIKeyMQWPWOSSUVUILF-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.48
Rot. Bonds7

About N-(1-benzyl-5-oxo-2H-azepin-6-yl)-4-phenylmethoxybenzamide

N-(1-benzyl-5-oxo-2H-azepin-6-yl)-4-phenylmethoxybenzamide (PubChem CID 54086523) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(1-benzyl-5-oxo-2H-azepin-6-yl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(1-benzyl-5-oxo-2H-azepin-6-yl)-4-phenylmethoxybenzamide
PubChem CID54086523
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC NameN-(1-benzyl-5-oxo-2H-azepin-6-yl)-4-phenylmethoxybenzamide
SMILESO=C1C=CCN(Cc2ccccc2)C=C1NC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H24N2O3/c30-26-12-7-17-29(18-21-8-3-1-4-9-21)19-25(26)28-27(31)23-13-15-24(16-14-23)32-20-22-10-5-2-6-11-22/h1-16,19H,17-18,20H2,(H,28,31)
InChIKeyMQWPWOSSUVUILF-UHFFFAOYSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
2-[[4-(phenoxymethyl)benzoyl]amino]benzamide
CID 924413
N-methyl-4-phenylmethoxybenzamide
CID 2996745
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
1-methyl-3-[(4-phenylmethoxybenzoyl)amino]thiourea
CID 146584158
N'-(2,2-diphenylacetyl)-4-phenylmethoxybenzohydrazide
CID 4933138
3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylmethoxybenzamide
CID 46443447
N-[2-(butanoylamino)phenyl]-4-phenylmethoxybenzamide
CID 2996611
4-(phenoxymethyl)-N-phenylmethoxybenzamide
CID 41450965

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-oxo-2H-azepin-6-yl)-4-phenylmethoxybenzamide?
The IUPAC name of N-(1-benzyl-5-oxo-2H-azepin-6-yl)-4-phenylmethoxybenzamide (CID 54086523) is N-(1-benzyl-5-oxo-2H-azepin-6-yl)-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(1-benzyl-5-oxo-2H-azepin-6-yl)-4-phenylmethoxybenzamide?
The canonical SMILES for N-(1-benzyl-5-oxo-2H-azepin-6-yl)-4-phenylmethoxybenzamide is O=C1C=CCN(Cc2ccccc2)C=C1NC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(1-benzyl-5-oxo-2H-azepin-6-yl)-4-phenylmethoxybenzamide?
The InChIKey is MQWPWOSSUVUILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c30-26-12-7-17-29(18-21-8-3-1-4-9-21)19-25(26)28-27(31)23-13-15-24(16-14-23)32-20-22-10-5-2-6-11-22/h1-16,19H,17-18,20H2,(H,28,31).
What are the key properties of N-(1-benzyl-5-oxo-2H-azepin-6-yl)-4-phenylmethoxybenzamide?
N-(1-benzyl-5-oxo-2H-azepin-6-yl)-4-phenylmethoxybenzamide has a molecular weight of 424.50 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-oxo-2H-azepin-6-yl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 54086523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).