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

C28H32N2O5 — CID 50791552

IUPACN-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
SMILESCC(C)Oc1ccc(CN2C(=O)c3oc4ccccc4c3OCC2(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C28H32N2O5/c1-18(2)34-21-14-12-19(13-15-21)16-30-26(31)25-24(22-10-6-7-11-23(22)35-25)33-17-28(30,3)27(32)29-20-8-4-5-9-20/h6-7,10-15,18,20H,4-5,8-9,16-17H2,1-3H3,(H,29,32)
InChIKeyRGCNQRIMXIJZOH-UHFFFAOYSA-N
MW476.57 g/mol
LogP5.07
Rot. Bonds6

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

N-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide (PubChem CID 50791552) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
PubChem CID50791552
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC NameN-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
SMILESCC(C)Oc1ccc(CN2C(=O)c3oc4ccccc4c3OCC2(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C28H32N2O5/c1-18(2)34-21-14-12-19(13-15-21)16-30-26(31)25-24(22-10-6-7-11-23(22)35-25)33-17-28(30,3)27(32)29-20-8-4-5-9-20/h6-7,10-15,18,20H,4-5,8-9,16-17H2,1-3H3,(H,29,32)
InChIKeyRGCNQRIMXIJZOH-UHFFFAOYSA-N
XLogP5.07
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.57
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
The IUPAC name of N-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide (CID 50791552) is N-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide is CC(C)Oc1ccc(CN2C(=O)c3oc4ccccc4c3OCC2(C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
The InChIKey is RGCNQRIMXIJZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5/c1-18(2)34-21-14-12-19(13-15-21)16-30-26(31)25-24(22-10-6-7-11-23(22)35-25)33-17-28(30,3)27(32)29-20-8-4-5-9-20/h6-7,10-15,18,20H,4-5,8-9,16-17H2,1-3H3,(H,29,32).
What are the key properties of N-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
N-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide has a molecular weight of 476.57 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide is sourced from PubChem (CID 50791552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).