cis-(1S,2R)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide

C18H34N2O2 — CID 58165997

IUPACcis-(1S,2R)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
SMILESCC(CN(C)C)N(C)C(=O)[C@H]1CCCC[C@H]1C(=O)C(C)(C)C
InChIInChI=1S/C18H34N2O2/c1-13(12-19(5)6)20(7)17(22)15-11-9-8-10-14(15)16(21)18(2,3)4/h13-15H,8-12H2,1-7H3/t13?,14-,15+/m1/s1
InChIKeyZDQNZSAXHTWKOT-DMJDIKPUSA-N
MW310.48 g/mol
LogP2.82
Rot. Bonds5

About cis-(1S,2R)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide

cis-(1S,2R)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 58165997) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is cis-(1S,2R)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
PubChem CID58165997
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Namecis-(1S,2R)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
SMILESCC(CN(C)C)N(C)C(=O)[C@H]1CCCC[C@H]1C(=O)C(C)(C)C
InChIInChI=1S/C18H34N2O2/c1-13(12-19(5)6)20(7)17(22)15-11-9-8-10-14(15)16(21)18(2,3)4/h13-15H,8-12H2,1-7H3/t13?,14-,15+/m1/s1
InChIKeyZDQNZSAXHTWKOT-DMJDIKPUSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide with MolForge

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Related Compounds

Eth 1644
CID 133502
1,2-Cyclohexanedicarboxamide, N,N,N',N'-tetrakis(2-methylpropyl)-
CID 582040
Cyclohexane-1,2-dicarboxylic acid, bis-dipropylamide
CID 617114
Cyclohexane-1,2-dicarboxylic acid, butyl-propyl-amide) diisobutylamide
CID 619959
1,2-Cyclohexanedicarboxamide, N,N'-diheptyl-N,N'-dimethyl-
CID 622369
4-Methyl-cyclohexane-1,2-dicarboxylic acid, bis-diisobutylamide
CID 624393
2-Cyclohexyl-N1,N1,N4,N4-tetraisobutyl-3-methyl-succinamide
CID 628033
2-[(3-butyl-3-cyclohexylheptanoyl)-ethylamino]-N,N-dimethylethanamine oxide
CID 9908018
cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
CID 58165929
cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 58165930
cis-(1R,2S)-N-[2-(diethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
CID 58165935
cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide
CID 58165942

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide (CID 58165997) is cis-(1S,2R)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide is CC(CN(C)C)N(C)C(=O)[C@H]1CCCC[C@H]1C(=O)C(C)(C)C.
What is the InChIKey of cis-(1S,2R)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is ZDQNZSAXHTWKOT-DMJDIKPUSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-13(12-19(5)6)20(7)17(22)15-11-9-8-10-14(15)16(21)18(2,3)4/h13-15H,8-12H2,1-7H3/t13?,14-,15+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide?
cis-(1S,2R)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 310.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 58165997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).