N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide

C17H32N2O2 — CID 123651432

IUPACN-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide
SMILESCN(C)CCNC(=O)C1CCCCC1CC(=O)C(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-17(2,3)15(20)12-13-8-6-7-9-14(13)16(21)18-10-11-19(4)5/h13-14H,6-12H2,1-5H3,(H,18,21)
InChIKeyVANVGSNPNQYLET-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.48
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide

N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide (PubChem CID 123651432) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide
PubChem CID123651432
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide
SMILESCN(C)CCNC(=O)C1CCCCC1CC(=O)C(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-17(2,3)15(20)12-13-8-6-7-9-14(13)16(21)18-10-11-19(4)5/h13-14H,6-12H2,1-5H3,(H,18,21)
InChIKeyVANVGSNPNQYLET-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide (CID 123651432) is N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide is CN(C)CCNC(=O)C1CCCCC1CC(=O)C(C)(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide?
The InChIKey is VANVGSNPNQYLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2,3)15(20)12-13-8-6-7-9-14(13)16(21)18-10-11-19(4)5/h13-14H,6-12H2,1-5H3,(H,18,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 123651432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).