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

C26H28N2O4 — CID 50791551

IUPACN-cyclopentyl-3-methyl-4-[(2-methylphenyl)methyl]-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
SMILESCc1ccccc1CN1C(=O)c2oc3ccccc3c2OCC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H28N2O4/c1-17-9-3-4-10-18(17)15-28-24(29)23-22(20-13-7-8-14-21(20)32-23)31-16-26(28,2)25(30)27-19-11-5-6-12-19/h3-4,7-10,13-14,19H,5-6,11-12,15-16H2,1-2H3,(H,27,30)
InChIKeyYLDCODVDZVVBNC-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.59
Rot. Bonds4

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

N-cyclopentyl-3-methyl-4-[(2-methylphenyl)methyl]-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide (PubChem CID 50791551) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-4-[(2-methylphenyl)methyl]-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-4-[(2-methylphenyl)methyl]-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
PubChem CID50791551
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC NameN-cyclopentyl-3-methyl-4-[(2-methylphenyl)methyl]-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
SMILESCc1ccccc1CN1C(=O)c2oc3ccccc3c2OCC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H28N2O4/c1-17-9-3-4-10-18(17)15-28-24(29)23-22(20-13-7-8-14-21(20)32-23)31-16-26(28,2)25(30)27-19-11-5-6-12-19/h3-4,7-10,13-14,19H,5-6,11-12,15-16H2,1-2H3,(H,27,30)
InChIKeyYLDCODVDZVVBNC-UHFFFAOYSA-N
XLogP4.59
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-[(2-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 50791582
N-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-ylphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 101398328
N-cyclopentyl-4-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 50791554
(3S)-N-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 92749436
N-cyclohexyl-4,11-dimethyl-10-[(2-methylphenyl)methyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756485
N-cyclopentyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 50757978
(3R)-N-cyclopentyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704234
(3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741360
N-cycloheptyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 46274165
(3S)-N-cycloheptyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740841
hydrogen peroxide;N-[(2-hydroxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide;vanadium
CID 169127441
(3S)-4-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 92891579

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methyl-4-[(2-methylphenyl)methyl]-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
The IUPAC name of N-cyclopentyl-3-methyl-4-[(2-methylphenyl)methyl]-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide (CID 50791551) is N-cyclopentyl-3-methyl-4-[(2-methylphenyl)methyl]-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-4-[(2-methylphenyl)methyl]-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-3-methyl-4-[(2-methylphenyl)methyl]-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide is Cc1ccccc1CN1C(=O)c2oc3ccccc3c2OCC1(C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-methyl-4-[(2-methylphenyl)methyl]-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
The InChIKey is YLDCODVDZVVBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-17-9-3-4-10-18(17)15-28-24(29)23-22(20-13-7-8-14-21(20)32-23)31-16-26(28,2)25(30)27-19-11-5-6-12-19/h3-4,7-10,13-14,19H,5-6,11-12,15-16H2,1-2H3,(H,27,30).
What are the key properties of N-cyclopentyl-3-methyl-4-[(2-methylphenyl)methyl]-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
N-cyclopentyl-3-methyl-4-[(2-methylphenyl)methyl]-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methyl-4-[(2-methylphenyl)methyl]-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide is sourced from PubChem (CID 50791551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).