(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide

C19H36N4O2 — CID 75411407

IUPAC(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N(C)CCN(C)C
InChIInChI=1S/C19H36N4O2/c1-20-18(24)17(15-9-6-5-7-10-15)23-12-8-11-16(23)19(25)22(4)14-13-21(2)3/h15-17H,5-14H2,1-4H3,(H,20,24)/t16-,17+/m0/s1
InChIKeyNQZCZYREJXQXMT-DLBZAZTESA-N
MW352.52 g/mol
LogP1.17
Rot. Bonds7

About (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide

(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 75411407) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID75411407
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N(C)CCN(C)C
InChIInChI=1S/C19H36N4O2/c1-20-18(24)17(15-9-6-5-7-10-15)23-12-8-11-16(23)19(25)22(4)14-13-21(2)3/h15-17H,5-14H2,1-4H3,(H,20,24)/t16-,17+/m0/s1
InChIKeyNQZCZYREJXQXMT-DLBZAZTESA-N
XLogP1.17
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide (CID 75411407) is (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N(C)CCN(C)C.
What is the InChIKey of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is NQZCZYREJXQXMT-DLBZAZTESA-N. The full InChI is InChI=1S/C19H36N4O2/c1-20-18(24)17(15-9-6-5-7-10-15)23-12-8-11-16(23)19(25)22(4)14-13-21(2)3/h15-17H,5-14H2,1-4H3,(H,20,24)/t16-,17+/m0/s1.
What are the key properties of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 352.52 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 75411407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).