N-cyclopentyl-4-[(4-ethoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide

C27H30N2O5 — CID 50791583

IUPACN-cyclopentyl-4-[(4-ethoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
SMILESCCOc1ccc(CN2C(=O)c3oc4ccccc4c3OCC2(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C27H30N2O5/c1-3-32-20-14-12-18(13-15-20)16-29-25(30)24-23(21-10-6-7-11-22(21)34-24)33-17-27(29,2)26(31)28-19-8-4-5-9-19/h6-7,10-15,19H,3-5,8-9,16-17H2,1-2H3,(H,28,31)
InChIKeyUZNBRZQMBRQBGE-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.68
Rot. Bonds6

About N-cyclopentyl-4-[(4-ethoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide

N-cyclopentyl-4-[(4-ethoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide (PubChem CID 50791583) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-cyclopentyl-4-[(4-ethoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(4-ethoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
PubChem CID50791583
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC NameN-cyclopentyl-4-[(4-ethoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
SMILESCCOc1ccc(CN2C(=O)c3oc4ccccc4c3OCC2(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C27H30N2O5/c1-3-32-20-14-12-18(13-15-20)16-29-25(30)24-23(21-10-6-7-11-22(21)34-24)33-17-27(29,2)26(31)28-19-8-4-5-9-19/h6-7,10-15,19H,3-5,8-9,16-17H2,1-2H3,(H,28,31)
InChIKeyUZNBRZQMBRQBGE-UHFFFAOYSA-N
XLogP4.68
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(4-ethoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
The IUPAC name of N-cyclopentyl-4-[(4-ethoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide (CID 50791583) is N-cyclopentyl-4-[(4-ethoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[(4-ethoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[(4-ethoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide is CCOc1ccc(CN2C(=O)c3oc4ccccc4c3OCC2(C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-4-[(4-ethoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
The InChIKey is UZNBRZQMBRQBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-3-32-20-14-12-18(13-15-20)16-29-25(30)24-23(21-10-6-7-11-22(21)34-24)33-17-27(29,2)26(31)28-19-8-4-5-9-19/h6-7,10-15,19H,3-5,8-9,16-17H2,1-2H3,(H,28,31).
What are the key properties of N-cyclopentyl-4-[(4-ethoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
N-cyclopentyl-4-[(4-ethoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(4-ethoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide is sourced from PubChem (CID 50791583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).