cis-(1R,2S)-N-[2-(diethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide

C19H36N2O2 — CID 58165935

IUPACcis-(1R,2S)-N-[2-(diethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
SMILESCCN(CC)CCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)C
InChIInChI=1S/C19H36N2O2/c1-7-21(8-2)14-13-20(6)18(23)16-12-10-9-11-15(16)17(22)19(3,4)5/h15-16H,7-14H2,1-6H3/t15-,16+/m0/s1
InChIKeyLPGUPESQDGOLCV-JKSUJKDBSA-N
MW324.51 g/mol
LogP3.21
Rot. Bonds7

About cis-(1R,2S)-N-[2-(diethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide

cis-(1R,2S)-N-[2-(diethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 58165935) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is cis-(1R,2S)-N-[2-(diethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[2-(diethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
PubChem CID58165935
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Namecis-(1R,2S)-N-[2-(diethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
SMILESCCN(CC)CCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)C
InChIInChI=1S/C19H36N2O2/c1-7-21(8-2)14-13-20(6)18(23)16-12-10-9-11-15(16)17(22)19(3,4)5/h15-16H,7-14H2,1-6H3/t15-,16+/m0/s1
InChIKeyLPGUPESQDGOLCV-JKSUJKDBSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[2-(diethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[2-(diethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide (CID 58165935) is cis-(1R,2S)-N-[2-(diethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[2-(diethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[2-(diethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide is CCN(CC)CCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)C.
What is the InChIKey of cis-(1R,2S)-N-[2-(diethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is LPGUPESQDGOLCV-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-7-21(8-2)14-13-20(6)18(23)16-12-10-9-11-15(16)17(22)19(3,4)5/h15-16H,7-14H2,1-6H3/t15-,16+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[2-(diethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide?
cis-(1R,2S)-N-[2-(diethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 324.51 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[2-(diethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 58165935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).