cis-(1R,2S)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide

C18H34N2O2 — CID 58165950

IUPACcis-(1R,2S)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
SMILESCN(C)CCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)C
InChIInChI=1S/C18H34N2O2/c1-18(2,3)16(21)14-10-7-8-11-15(14)17(22)20(6)13-9-12-19(4)5/h14-15H,7-13H2,1-6H3/t14-,15+/m0/s1
InChIKeyKVXSDAJYXKZLGP-LSDHHAIUSA-N
MW310.48 g/mol
LogP2.82
Rot. Bonds6

About cis-(1R,2S)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide

cis-(1R,2S)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 58165950) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is cis-(1R,2S)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
PubChem CID58165950
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Namecis-(1R,2S)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
SMILESCN(C)CCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)C
InChIInChI=1S/C18H34N2O2/c1-18(2,3)16(21)14-10-7-8-11-15(14)17(22)20(6)13-9-12-19(4)5/h14-15H,7-13H2,1-6H3/t14-,15+/m0/s1
InChIKeyKVXSDAJYXKZLGP-LSDHHAIUSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N'-methylcyclohexane-1-carbohydrazide
CID 123439330
cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 58166023
cis-(1R,2S)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
CID 58166026
N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide
CID 143018860
cis-(1S,2R)-N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
CID 58165960
cis-(1S,2R)-2-[3-methoxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 94912240
2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60949039
N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107174467
2-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid
CID 55226608
N-[2-(dimethylamino)ethyl]-N-methylcyclohexanecarboxamide
CID 110482195
2-[2-hydroxyethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978359
2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978888

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide (CID 58165950) is cis-(1R,2S)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide is CN(C)CCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)C.
What is the InChIKey of cis-(1R,2S)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is KVXSDAJYXKZLGP-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-18(2,3)16(21)14-10-7-8-11-15(14)17(22)20(6)13-9-12-19(4)5/h14-15H,7-13H2,1-6H3/t14-,15+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide?
cis-(1R,2S)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 310.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 58165950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).