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

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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).