3-oxo-4-(2-phenylethyl)-N-(4-phenylmethoxycyclohexyl)-1,4-benzoxazine-7-carboxamide

C30H32N2O4 — CID 139779581

IUPAC3-oxo-4-(2-phenylethyl)-N-(4-phenylmethoxycyclohexyl)-1,4-benzoxazine-7-carboxamide
SMILESO=C(NC1CCC(OCc2ccccc2)CC1)c1ccc2c(c1)OCC(=O)N2CCc1ccccc1
InChIInChI=1S/C30H32N2O4/c33-29-21-36-28-19-24(11-16-27(28)32(29)18-17-22-7-3-1-4-8-22)30(34)31-25-12-14-26(15-13-25)35-20-23-9-5-2-6-10-23/h1-11,16,19,25-26H,12-15,17-18,20-21H2,(H,31,34)
InChIKeyVLJLWABIUWJWBC-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.91
Rot. Bonds8

About 3-oxo-4-(2-phenylethyl)-N-(4-phenylmethoxycyclohexyl)-1,4-benzoxazine-7-carboxamide

3-oxo-4-(2-phenylethyl)-N-(4-phenylmethoxycyclohexyl)-1,4-benzoxazine-7-carboxamide (PubChem CID 139779581) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is 3-oxo-4-(2-phenylethyl)-N-(4-phenylmethoxycyclohexyl)-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound Name3-oxo-4-(2-phenylethyl)-N-(4-phenylmethoxycyclohexyl)-1,4-benzoxazine-7-carboxamide
PubChem CID139779581
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name3-oxo-4-(2-phenylethyl)-N-(4-phenylmethoxycyclohexyl)-1,4-benzoxazine-7-carboxamide
SMILESO=C(NC1CCC(OCc2ccccc2)CC1)c1ccc2c(c1)OCC(=O)N2CCc1ccccc1
InChIInChI=1S/C30H32N2O4/c33-29-21-36-28-19-24(11-16-27(28)32(29)18-17-22-7-3-1-4-8-22)30(34)31-25-12-14-26(15-13-25)35-20-23-9-5-2-6-10-23/h1-11,16,19,25-26H,12-15,17-18,20-21H2,(H,31,34)
InChIKeyVLJLWABIUWJWBC-UHFFFAOYSA-N
XLogP4.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-oxo-4-(2-phenylethyl)-N-(4-phenylmethoxycyclohexyl)-1,4-benzoxazine-7-carboxamide with MolForge

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Related Compounds

3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-cyclopropylbenzamide
CID 3663025
4-heptyl-3-oxo-1,4-benzoxazine-7-carboxylic acid
CID 82025318
1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(4-phenylcyclohexyl)urea
CID 156827900
1-benzyl-N-cyclopropyl-2-oxo-3H-indole-5-carboxamide
CID 53160635
N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
CID 22423244
1-[2-[[3-[2-[7-[(Z)-N'-hydroxycarbamimidoyl]-3-oxo-1,4-benzoxazin-4-yl]ethyl]benzoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 155066806
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide
CID 38952079
4-[(4-nitrophenyl)methyl]-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-7-carboxamide
CID 139779669
2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide
CID 51072486
N-cyclooctyl-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023877
N-cyclopentyl-2-(7-hydroxy-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 82063564
4-benzyl-N-(2-methoxyethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023793

Frequently Asked Questions

What is the IUPAC name of 3-oxo-4-(2-phenylethyl)-N-(4-phenylmethoxycyclohexyl)-1,4-benzoxazine-7-carboxamide?
The IUPAC name of 3-oxo-4-(2-phenylethyl)-N-(4-phenylmethoxycyclohexyl)-1,4-benzoxazine-7-carboxamide (CID 139779581) is 3-oxo-4-(2-phenylethyl)-N-(4-phenylmethoxycyclohexyl)-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for 3-oxo-4-(2-phenylethyl)-N-(4-phenylmethoxycyclohexyl)-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for 3-oxo-4-(2-phenylethyl)-N-(4-phenylmethoxycyclohexyl)-1,4-benzoxazine-7-carboxamide is O=C(NC1CCC(OCc2ccccc2)CC1)c1ccc2c(c1)OCC(=O)N2CCc1ccccc1.
What is the InChIKey of 3-oxo-4-(2-phenylethyl)-N-(4-phenylmethoxycyclohexyl)-1,4-benzoxazine-7-carboxamide?
The InChIKey is VLJLWABIUWJWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c33-29-21-36-28-19-24(11-16-27(28)32(29)18-17-22-7-3-1-4-8-22)30(34)31-25-12-14-26(15-13-25)35-20-23-9-5-2-6-10-23/h1-11,16,19,25-26H,12-15,17-18,20-21H2,(H,31,34).
What are the key properties of 3-oxo-4-(2-phenylethyl)-N-(4-phenylmethoxycyclohexyl)-1,4-benzoxazine-7-carboxamide?
3-oxo-4-(2-phenylethyl)-N-(4-phenylmethoxycyclohexyl)-1,4-benzoxazine-7-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4-(2-phenylethyl)-N-(4-phenylmethoxycyclohexyl)-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 139779581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).