N-(1-methyl-2-oxoazepan-3-yl)cyclohexanecarboxamide

C14H24N2O2 — CID 53384964

IUPACN-(1-methyl-2-oxoazepan-3-yl)cyclohexanecarboxamide
SMILESCN1CCCCC(NC(=O)C2CCCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-16-10-6-5-9-12(14(16)18)15-13(17)11-7-3-2-4-8-11/h11-12H,2-10H2,1H3,(H,15,17)
InChIKeyVMEPHFLROAKOMD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds2

About N-(1-methyl-2-oxoazepan-3-yl)cyclohexanecarboxamide

N-(1-methyl-2-oxoazepan-3-yl)cyclohexanecarboxamide (PubChem CID 53384964) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(1-methyl-2-oxoazepan-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxoazepan-3-yl)cyclohexanecarboxamide
PubChem CID53384964
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-(1-methyl-2-oxoazepan-3-yl)cyclohexanecarboxamide
SMILESCN1CCCCC(NC(=O)C2CCCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-16-10-6-5-9-12(14(16)18)15-13(17)11-7-3-2-4-8-11/h11-12H,2-10H2,1H3,(H,15,17)
InChIKeyVMEPHFLROAKOMD-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxoazepan-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1-methyl-2-oxoazepan-3-yl)cyclohexanecarboxamide (CID 53384964) is N-(1-methyl-2-oxoazepan-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-methyl-2-oxoazepan-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-methyl-2-oxoazepan-3-yl)cyclohexanecarboxamide is CN1CCCCC(NC(=O)C2CCCCC2)C1=O.
What is the InChIKey of N-(1-methyl-2-oxoazepan-3-yl)cyclohexanecarboxamide?
The InChIKey is VMEPHFLROAKOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16-10-6-5-9-12(14(16)18)15-13(17)11-7-3-2-4-8-11/h11-12H,2-10H2,1H3,(H,15,17).
What are the key properties of N-(1-methyl-2-oxoazepan-3-yl)cyclohexanecarboxamide?
N-(1-methyl-2-oxoazepan-3-yl)cyclohexanecarboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxoazepan-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 53384964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).