N-cyclohexyl-1-methyl-7-oxoazepane-2-carboxamide

C14H24N2O2 — CID 110196273

IUPACN-cyclohexyl-1-methyl-7-oxoazepane-2-carboxamide
SMILESCN1C(=O)CCCCC1C(=O)NC1CCCCC1
InChIInChI=1S/C14H24N2O2/c1-16-12(9-5-6-10-13(16)17)14(18)15-11-7-3-2-4-8-11/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyFXFMNTNNKOEFBH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.84
Rot. Bonds2

About N-cyclohexyl-1-methyl-7-oxoazepane-2-carboxamide

N-cyclohexyl-1-methyl-7-oxoazepane-2-carboxamide (PubChem CID 110196273) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-7-oxoazepane-2-carboxamide
PubChem CID110196273
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-cyclohexyl-1-methyl-7-oxoazepane-2-carboxamide
SMILESCN1C(=O)CCCCC1C(=O)NC1CCCCC1
InChIInChI=1S/C14H24N2O2/c1-16-12(9-5-6-10-13(16)17)14(18)15-11-7-3-2-4-8-11/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyFXFMNTNNKOEFBH-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-7-oxoazepane-2-carboxamide?
The IUPAC name of N-cyclohexyl-1-methyl-7-oxoazepane-2-carboxamide (CID 110196273) is N-cyclohexyl-1-methyl-7-oxoazepane-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-7-oxoazepane-2-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methyl-7-oxoazepane-2-carboxamide is CN1C(=O)CCCCC1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-methyl-7-oxoazepane-2-carboxamide?
The InChIKey is FXFMNTNNKOEFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16-12(9-5-6-10-13(16)17)14(18)15-11-7-3-2-4-8-11/h11-12H,2-10H2,1H3,(H,15,18).
What are the key properties of N-cyclohexyl-1-methyl-7-oxoazepane-2-carboxamide?
N-cyclohexyl-1-methyl-7-oxoazepane-2-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 110196273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).