cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide

C21H38N2O2 — CID 58165942

IUPACcis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide
SMILESCC(C)N1CCC[C@H]1CN(C)C(=O)[C@H]1CCCC[C@H]1C(=O)C(C)(C)C
InChIInChI=1S/C21H38N2O2/c1-15(2)23-13-9-10-16(23)14-22(6)20(25)18-12-8-7-11-17(18)19(24)21(3,4)5/h15-18H,7-14H2,1-6H3/t16-,17+,18-/m0/s1
InChIKeyRXICAPMFOHRZQJ-KSZLIROESA-N
MW350.55 g/mol
LogP3.74
Rot. Bonds5

About cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide

cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 58165942) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide
PubChem CID58165942
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Namecis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide
SMILESCC(C)N1CCC[C@H]1CN(C)C(=O)[C@H]1CCCC[C@H]1C(=O)C(C)(C)C
InChIInChI=1S/C21H38N2O2/c1-15(2)23-13-9-10-16(23)14-22(6)20(25)18-12-8-7-11-17(18)19(24)21(3,4)5/h15-18H,7-14H2,1-6H3/t16-,17+,18-/m0/s1
InChIKeyRXICAPMFOHRZQJ-KSZLIROESA-N
XLogP3.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide (CID 58165942) is cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide is CC(C)N1CCC[C@H]1CN(C)C(=O)[C@H]1CCCC[C@H]1C(=O)C(C)(C)C.
What is the InChIKey of cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is RXICAPMFOHRZQJ-KSZLIROESA-N. The full InChI is InChI=1S/C21H38N2O2/c1-15(2)23-13-9-10-16(23)14-22(6)20(25)18-12-8-7-11-17(18)19(24)21(3,4)5/h15-18H,7-14H2,1-6H3/t16-,17+,18-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide?
cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 350.55 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 58165942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).