cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide

C19H34N2O2 — CID 58165930

IUPACcis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
SMILESCN(CCN1CCCC1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)C
InChIInChI=1S/C19H34N2O2/c1-19(2,3)17(22)15-9-5-6-10-16(15)18(23)20(4)13-14-21-11-7-8-12-21/h15-16H,5-14H2,1-4H3/t15-,16+/m0/s1
InChIKeyRVLCQDAFKXNOOJ-JKSUJKDBSA-N
MW322.49 g/mol
LogP2.96
Rot. Bonds5

About cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide

cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide (PubChem CID 58165930) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
PubChem CID58165930
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Namecis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
SMILESCN(CCN1CCCC1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)C
InChIInChI=1S/C19H34N2O2/c1-19(2,3)17(22)15-9-5-6-10-16(15)18(23)20(4)13-14-21-11-7-8-12-21/h15-16H,5-14H2,1-4H3/t15-,16+/m0/s1
InChIKeyRVLCQDAFKXNOOJ-JKSUJKDBSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide (CID 58165930) is cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide is CN(CCN1CCCC1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)C.
What is the InChIKey of cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is RVLCQDAFKXNOOJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-19(2,3)17(22)15-9-5-6-10-16(15)18(23)20(4)13-14-21-11-7-8-12-21/h15-16H,5-14H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 322.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 58165930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).