N-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide

C15H26N2O2 — CID 110196292

IUPACN-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide
SMILESCN1C(=O)CCCCC1C(=O)NCC1CCCCC1
InChIInChI=1S/C15H26N2O2/c1-17-13(9-5-6-10-14(17)18)15(19)16-11-12-7-3-2-4-8-12/h12-13H,2-11H2,1H3,(H,16,19)
InChIKeyASSHFKMSPNQJNS-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds3

About N-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide

N-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide (PubChem CID 110196292) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide
PubChem CID110196292
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide
SMILESCN1C(=O)CCCCC1C(=O)NCC1CCCCC1
InChIInChI=1S/C15H26N2O2/c1-17-13(9-5-6-10-14(17)18)15(19)16-11-12-7-3-2-4-8-12/h12-13H,2-11H2,1H3,(H,16,19)
InChIKeyASSHFKMSPNQJNS-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide (CID 110196292) is N-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide is CN1C(=O)CCCCC1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide?
The InChIKey is ASSHFKMSPNQJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-17-13(9-5-6-10-14(17)18)15(19)16-11-12-7-3-2-4-8-12/h12-13H,2-11H2,1H3,(H,16,19).
What are the key properties of N-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide?
N-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 110196292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).