N-cyclohexyl-2-ethyl-7-oxoazepane-2-carboxamide

C15H26N2O2 — CID 110196350

IUPACN-cyclohexyl-2-ethyl-7-oxoazepane-2-carboxamide
SMILESCCC1(C(=O)NC2CCCCC2)CCCCC(=O)N1
InChIInChI=1S/C15H26N2O2/c1-2-15(11-7-6-10-13(18)17-15)14(19)16-12-8-4-3-5-9-12/h12H,2-11H2,1H3,(H,16,19)(H,17,18)
InChIKeyHHFIUOHDSNXQRT-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.27
Rot. Bonds3

About N-cyclohexyl-2-ethyl-7-oxoazepane-2-carboxamide

N-cyclohexyl-2-ethyl-7-oxoazepane-2-carboxamide (PubChem CID 110196350) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-cyclohexyl-2-ethyl-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-ethyl-7-oxoazepane-2-carboxamide
PubChem CID110196350
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-cyclohexyl-2-ethyl-7-oxoazepane-2-carboxamide
SMILESCCC1(C(=O)NC2CCCCC2)CCCCC(=O)N1
InChIInChI=1S/C15H26N2O2/c1-2-15(11-7-6-10-13(18)17-15)14(19)16-12-8-4-3-5-9-12/h12H,2-11H2,1H3,(H,16,19)(H,17,18)
InChIKeyHHFIUOHDSNXQRT-UHFFFAOYSA-N
XLogP2.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ethyl-7-oxoazepane-2-carboxamide?
The IUPAC name of N-cyclohexyl-2-ethyl-7-oxoazepane-2-carboxamide (CID 110196350) is N-cyclohexyl-2-ethyl-7-oxoazepane-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-ethyl-7-oxoazepane-2-carboxamide?
The canonical SMILES for N-cyclohexyl-2-ethyl-7-oxoazepane-2-carboxamide is CCC1(C(=O)NC2CCCCC2)CCCCC(=O)N1.
What is the InChIKey of N-cyclohexyl-2-ethyl-7-oxoazepane-2-carboxamide?
The InChIKey is HHFIUOHDSNXQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-15(11-7-6-10-13(18)17-15)14(19)16-12-8-4-3-5-9-12/h12H,2-11H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-cyclohexyl-2-ethyl-7-oxoazepane-2-carboxamide?
N-cyclohexyl-2-ethyl-7-oxoazepane-2-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ethyl-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 110196350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).