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

C18H21NO2 — CID 43845037

IUPACN-cyclohexyl-8-methyl-1-benzoxepine-4-carboxamide
SMILESCc1ccc2c(c1)OC=CC(C(=O)NC1CCCCC1)=C2
InChIInChI=1S/C18H21NO2/c1-13-7-8-14-12-15(9-10-21-17(14)11-13)18(20)19-16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3,(H,19,20)
InChIKeyMPSFIMZFTLNUNJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.73
Rot. Bonds2

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

N-cyclohexyl-8-methyl-1-benzoxepine-4-carboxamide (PubChem CID 43845037) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-cyclohexyl-8-methyl-1-benzoxepine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-8-methyl-1-benzoxepine-4-carboxamide
PubChem CID43845037
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-cyclohexyl-8-methyl-1-benzoxepine-4-carboxamide
SMILESCc1ccc2c(c1)OC=CC(C(=O)NC1CCCCC1)=C2
InChIInChI=1S/C18H21NO2/c1-13-7-8-14-12-15(9-10-21-17(14)11-13)18(20)19-16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3,(H,19,20)
InChIKeyMPSFIMZFTLNUNJ-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5170952
N-[3,3-Bis(3-methoxyphenyl)prop-2-en-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-8-methyl-1-benzoxepine-4-carboxamide?
The IUPAC name of N-cyclohexyl-8-methyl-1-benzoxepine-4-carboxamide (CID 43845037) is N-cyclohexyl-8-methyl-1-benzoxepine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-8-methyl-1-benzoxepine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-8-methyl-1-benzoxepine-4-carboxamide is Cc1ccc2c(c1)OC=CC(C(=O)NC1CCCCC1)=C2.
What is the InChIKey of N-cyclohexyl-8-methyl-1-benzoxepine-4-carboxamide?
The InChIKey is MPSFIMZFTLNUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-7-8-14-12-15(9-10-21-17(14)11-13)18(20)19-16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3,(H,19,20).
What are the key properties of N-cyclohexyl-8-methyl-1-benzoxepine-4-carboxamide?
N-cyclohexyl-8-methyl-1-benzoxepine-4-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-8-methyl-1-benzoxepine-4-carboxamide is sourced from PubChem (CID 43845037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).