N-cyclopentyl-8-methyl-1-benzoxepine-4-carboxamide

C17H19NO2 — CID 43845036

IUPACN-cyclopentyl-8-methyl-1-benzoxepine-4-carboxamide
SMILESCc1ccc2c(c1)OC=CC(C(=O)NC1CCCC1)=C2
InChIInChI=1S/C17H19NO2/c1-12-6-7-13-11-14(8-9-20-16(13)10-12)17(19)18-15-4-2-3-5-15/h6-11,15H,2-5H2,1H3,(H,18,19)
InChIKeyHUCAHRBZFNBIDY-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.34
Rot. Bonds2

About N-cyclopentyl-8-methyl-1-benzoxepine-4-carboxamide

N-cyclopentyl-8-methyl-1-benzoxepine-4-carboxamide (PubChem CID 43845036) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-cyclopentyl-8-methyl-1-benzoxepine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-8-methyl-1-benzoxepine-4-carboxamide
PubChem CID43845036
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-cyclopentyl-8-methyl-1-benzoxepine-4-carboxamide
SMILESCc1ccc2c(c1)OC=CC(C(=O)NC1CCCC1)=C2
InChIInChI=1S/C17H19NO2/c1-12-6-7-13-11-14(8-9-20-16(13)10-12)17(19)18-15-4-2-3-5-15/h6-11,15H,2-5H2,1H3,(H,18,19)
InChIKeyHUCAHRBZFNBIDY-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-8-methyl-1-benzoxepine-4-carboxamide?
The IUPAC name of N-cyclopentyl-8-methyl-1-benzoxepine-4-carboxamide (CID 43845036) is N-cyclopentyl-8-methyl-1-benzoxepine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-8-methyl-1-benzoxepine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-8-methyl-1-benzoxepine-4-carboxamide is Cc1ccc2c(c1)OC=CC(C(=O)NC1CCCC1)=C2.
What is the InChIKey of N-cyclopentyl-8-methyl-1-benzoxepine-4-carboxamide?
The InChIKey is HUCAHRBZFNBIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-6-7-13-11-14(8-9-20-16(13)10-12)17(19)18-15-4-2-3-5-15/h6-11,15H,2-5H2,1H3,(H,18,19).
What are the key properties of N-cyclopentyl-8-methyl-1-benzoxepine-4-carboxamide?
N-cyclopentyl-8-methyl-1-benzoxepine-4-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-8-methyl-1-benzoxepine-4-carboxamide is sourced from PubChem (CID 43845036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).