N-cyclopentyl-4-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxamide

C20H22N2O4 — CID 53300160

IUPACN-cyclopentyl-4-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxamide
SMILESO=C(NC1CCCC1)C1c2ccccc2OCC(=O)N1Cc1ccco1
InChIInChI=1S/C20H22N2O4/c23-18-13-26-17-10-4-3-9-16(17)19(20(24)21-14-6-1-2-7-14)22(18)12-15-8-5-11-25-15/h3-5,8-11,14,19H,1-2,6-7,12-13H2,(H,21,24)
InChIKeyKDPAURVWQDWNAY-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.80
Rot. Bonds4

About N-cyclopentyl-4-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxamide

N-cyclopentyl-4-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxamide (PubChem CID 53300160) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-cyclopentyl-4-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxamide
PubChem CID53300160
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-cyclopentyl-4-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxamide
SMILESO=C(NC1CCCC1)C1c2ccccc2OCC(=O)N1Cc1ccco1
InChIInChI=1S/C20H22N2O4/c23-18-13-26-17-10-4-3-9-16(17)19(20(24)21-14-6-1-2-7-14)22(18)12-15-8-5-11-25-15/h3-5,8-11,14,19H,1-2,6-7,12-13H2,(H,21,24)
InChIKeyKDPAURVWQDWNAY-UHFFFAOYSA-N
XLogP2.80
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxamide?
The IUPAC name of N-cyclopentyl-4-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxamide (CID 53300160) is N-cyclopentyl-4-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxamide is O=C(NC1CCCC1)C1c2ccccc2OCC(=O)N1Cc1ccco1.
What is the InChIKey of N-cyclopentyl-4-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxamide?
The InChIKey is KDPAURVWQDWNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-18-13-26-17-10-4-3-9-16(17)19(20(24)21-14-6-1-2-7-14)22(18)12-15-8-5-11-25-15/h3-5,8-11,14,19H,1-2,6-7,12-13H2,(H,21,24).
What are the key properties of N-cyclopentyl-4-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxamide?
N-cyclopentyl-4-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxamide is sourced from PubChem (CID 53300160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).