N-cycloheptyl-2-ethyl-7-oxoazepane-2-carboxamide

C16H28N2O2 — CID 110196349

IUPACN-cycloheptyl-2-ethyl-7-oxoazepane-2-carboxamide
SMILESCCC1(C(=O)NC2CCCCCC2)CCCCC(=O)N1
InChIInChI=1S/C16H28N2O2/c1-2-16(12-8-7-11-14(19)18-16)15(20)17-13-9-5-3-4-6-10-13/h13H,2-12H2,1H3,(H,17,20)(H,18,19)
InChIKeyGZCSJRXFTAZQEV-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.66
Rot. Bonds3

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

N-cycloheptyl-2-ethyl-7-oxoazepane-2-carboxamide (PubChem CID 110196349) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-cycloheptyl-2-ethyl-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-ethyl-7-oxoazepane-2-carboxamide
PubChem CID110196349
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-cycloheptyl-2-ethyl-7-oxoazepane-2-carboxamide
SMILESCCC1(C(=O)NC2CCCCCC2)CCCCC(=O)N1
InChIInChI=1S/C16H28N2O2/c1-2-16(12-8-7-11-14(19)18-16)15(20)17-13-9-5-3-4-6-10-13/h13H,2-12H2,1H3,(H,17,20)(H,18,19)
InChIKeyGZCSJRXFTAZQEV-UHFFFAOYSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-ethyl-7-oxoazepane-2-carboxamide?
The IUPAC name of N-cycloheptyl-2-ethyl-7-oxoazepane-2-carboxamide (CID 110196349) is N-cycloheptyl-2-ethyl-7-oxoazepane-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-ethyl-7-oxoazepane-2-carboxamide?
The canonical SMILES for N-cycloheptyl-2-ethyl-7-oxoazepane-2-carboxamide is CCC1(C(=O)NC2CCCCCC2)CCCCC(=O)N1.
What is the InChIKey of N-cycloheptyl-2-ethyl-7-oxoazepane-2-carboxamide?
The InChIKey is GZCSJRXFTAZQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-16(12-8-7-11-14(19)18-16)15(20)17-13-9-5-3-4-6-10-13/h13H,2-12H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-cycloheptyl-2-ethyl-7-oxoazepane-2-carboxamide?
N-cycloheptyl-2-ethyl-7-oxoazepane-2-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-ethyl-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 110196349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).