(2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide

C19H30N4O2 — CID 72838638

IUPAC(2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(N(C)C)c2)CN1C
InChIInChI=1S/C19H30N4O2/c1-6-23(7-2)19(25)17-12-15(13-22(17)5)20-18(24)14-9-8-10-16(11-14)21(3)4/h8-11,15,17H,6-7,12-13H2,1-5H3,(H,20,24)/t15-,17+/m1/s1
InChIKeyFZQLTUQFAFRPLX-WBVHZDCISA-N
MW346.48 g/mol
LogP1.42
Rot. Bonds6

About (2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide

(2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide (PubChem CID 72838638) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide
PubChem CID72838638
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(N(C)C)c2)CN1C
InChIInChI=1S/C19H30N4O2/c1-6-23(7-2)19(25)17-12-15(13-22(17)5)20-18(24)14-9-8-10-16(11-14)21(3)4/h8-11,15,17H,6-7,12-13H2,1-5H3,(H,20,24)/t15-,17+/m1/s1
InChIKeyFZQLTUQFAFRPLX-WBVHZDCISA-N
XLogP1.42
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-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,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide (CID 72838638) is (2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(N(C)C)c2)CN1C.
What is the InChIKey of (2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide?
The InChIKey is FZQLTUQFAFRPLX-WBVHZDCISA-N. The full InChI is InChI=1S/C19H30N4O2/c1-6-23(7-2)19(25)17-12-15(13-22(17)5)20-18(24)14-9-8-10-16(11-14)21(3)4/h8-11,15,17H,6-7,12-13H2,1-5H3,(H,20,24)/t15-,17+/m1/s1.
What are the key properties of (2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide?
(2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 72838638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).