(3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide

C15H28N2O — CID 98540092

IUPAC(3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide
SMILESCCC1CCC(N(C)C(=O)[C@@H]2CNC[C@H]2C)CC1
InChIInChI=1S/C15H28N2O/c1-4-12-5-7-13(8-6-12)17(3)15(18)14-10-16-9-11(14)2/h11-14,16H,4-10H2,1-3H3/t11-,12?,13?,14-/m1/s1
InChIKeyUGRPDZVBJKNSLW-BLYZHGLHSA-N
MW252.40 g/mol
LogP2.27
Rot. Bonds3

About (3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide

(3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide (PubChem CID 98540092) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide
PubChem CID98540092
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide
SMILESCCC1CCC(N(C)C(=O)[C@@H]2CNC[C@H]2C)CC1
InChIInChI=1S/C15H28N2O/c1-4-12-5-7-13(8-6-12)17(3)15(18)14-10-16-9-11(14)2/h11-14,16H,4-10H2,1-3H3/t11-,12?,13?,14-/m1/s1
InChIKeyUGRPDZVBJKNSLW-BLYZHGLHSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide (CID 98540092) is (3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide is CCC1CCC(N(C)C(=O)[C@@H]2CNC[C@H]2C)CC1.
What is the InChIKey of (3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide?
The InChIKey is UGRPDZVBJKNSLW-BLYZHGLHSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-12-5-7-13(8-6-12)17(3)15(18)14-10-16-9-11(14)2/h11-14,16H,4-10H2,1-3H3/t11-,12?,13?,14-/m1/s1.
What are the key properties of (3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide?
(3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 98540092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).