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

C20H38N2O2 — CID 58166032

IUPACcis-(1S,2R)-N-[3-(diethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
SMILESCCN(CC)CCCN(C)C(=O)[C@H]1CCCC[C@H]1C(=O)C(C)(C)C
InChIInChI=1S/C20H38N2O2/c1-7-22(8-2)15-11-14-21(6)19(24)17-13-10-9-12-16(17)18(23)20(3,4)5/h16-17H,7-15H2,1-6H3/t16-,17+/m1/s1
InChIKeyRXWJGCPLCMXIOG-SJORKVTESA-N
MW338.54 g/mol
LogP3.60
Rot. Bonds8

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

cis-(1S,2R)-N-[3-(diethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 58166032) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is cis-(1S,2R)-N-[3-(diethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[3-(diethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
PubChem CID58166032
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Namecis-(1S,2R)-N-[3-(diethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
SMILESCCN(CC)CCCN(C)C(=O)[C@H]1CCCC[C@H]1C(=O)C(C)(C)C
InChIInChI=1S/C20H38N2O2/c1-7-22(8-2)15-11-14-21(6)19(24)17-13-10-9-12-16(17)18(23)20(3,4)5/h16-17H,7-15H2,1-6H3/t16-,17+/m1/s1
InChIKeyRXWJGCPLCMXIOG-SJORKVTESA-N
XLogP3.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[3-(diethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[3-(diethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide (CID 58166032) is cis-(1S,2R)-N-[3-(diethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[3-(diethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[3-(diethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide is CCN(CC)CCCN(C)C(=O)[C@H]1CCCC[C@H]1C(=O)C(C)(C)C.
What is the InChIKey of cis-(1S,2R)-N-[3-(diethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is RXWJGCPLCMXIOG-SJORKVTESA-N. The full InChI is InChI=1S/C20H38N2O2/c1-7-22(8-2)15-11-14-21(6)19(24)17-13-10-9-12-16(17)18(23)20(3,4)5/h16-17H,7-15H2,1-6H3/t16-,17+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[3-(diethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide?
cis-(1S,2R)-N-[3-(diethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 338.54 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[3-(diethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 58166032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).