N-(3-cyclohexylbutan-2-yl)-7-oxoazepane-2-carboxamide

C17H30N2O2 — CID 126817759

IUPACN-(3-cyclohexylbutan-2-yl)-7-oxoazepane-2-carboxamide
SMILESCC(NC(=O)C1CCCCC(=O)N1)C(C)C1CCCCC1
InChIInChI=1S/C17H30N2O2/c1-12(14-8-4-3-5-9-14)13(2)18-17(21)15-10-6-7-11-16(20)19-15/h12-15H,3-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyGFKIXNDBNQDKEX-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.77
Rot. Bonds4

About N-(3-cyclohexylbutan-2-yl)-7-oxoazepane-2-carboxamide

N-(3-cyclohexylbutan-2-yl)-7-oxoazepane-2-carboxamide (PubChem CID 126817759) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-(3-cyclohexylbutan-2-yl)-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexylbutan-2-yl)-7-oxoazepane-2-carboxamide
PubChem CID126817759
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-(3-cyclohexylbutan-2-yl)-7-oxoazepane-2-carboxamide
SMILESCC(NC(=O)C1CCCCC(=O)N1)C(C)C1CCCCC1
InChIInChI=1S/C17H30N2O2/c1-12(14-8-4-3-5-9-14)13(2)18-17(21)15-10-6-7-11-16(20)19-15/h12-15H,3-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyGFKIXNDBNQDKEX-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylbutan-2-yl)-7-oxoazepane-2-carboxamide?
The IUPAC name of N-(3-cyclohexylbutan-2-yl)-7-oxoazepane-2-carboxamide (CID 126817759) is N-(3-cyclohexylbutan-2-yl)-7-oxoazepane-2-carboxamide.
What is the SMILES notation for N-(3-cyclohexylbutan-2-yl)-7-oxoazepane-2-carboxamide?
The canonical SMILES for N-(3-cyclohexylbutan-2-yl)-7-oxoazepane-2-carboxamide is CC(NC(=O)C1CCCCC(=O)N1)C(C)C1CCCCC1.
What is the InChIKey of N-(3-cyclohexylbutan-2-yl)-7-oxoazepane-2-carboxamide?
The InChIKey is GFKIXNDBNQDKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-12(14-8-4-3-5-9-14)13(2)18-17(21)15-10-6-7-11-16(20)19-15/h12-15H,3-11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(3-cyclohexylbutan-2-yl)-7-oxoazepane-2-carboxamide?
N-(3-cyclohexylbutan-2-yl)-7-oxoazepane-2-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylbutan-2-yl)-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 126817759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).