(3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

C19H27N3O3 — CID 94201321

IUPAC(3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(CC)C2)c1
InChIInChI=1S/C19H27N3O3/c1-4-13(3)21-19(25)15-8-6-7-14(9-15)11-20-18(24)16-10-17(23)22(5-2)12-16/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,20,24)(H,21,25)/t13-,16-/m0/s1
InChIKeyNYDKACXPQRYVDY-BBRMVZONSA-N
MW345.44 g/mol
LogP1.70
Rot. Bonds7

About (3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 94201321) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID94201321
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(CC)C2)c1
InChIInChI=1S/C19H27N3O3/c1-4-13(3)21-19(25)15-8-6-7-14(9-15)11-20-18(24)16-10-17(23)22(5-2)12-16/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,20,24)(H,21,25)/t13-,16-/m0/s1
InChIKeyNYDKACXPQRYVDY-BBRMVZONSA-N
XLogP1.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-bromophenyl)-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55798311
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55749401
3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 166178785
N-[(2R)-butan-2-yl]-3-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]benzamide
CID 94181986
3-[[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 97077053
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47043735
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55973182
(3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 97123545
(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419
(3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 51950357
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55798245

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 94201321) is (3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is CC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(CC)C2)c1.
What is the InChIKey of (3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NYDKACXPQRYVDY-BBRMVZONSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-4-13(3)21-19(25)15-8-6-7-14(9-15)11-20-18(24)16-10-17(23)22(5-2)12-16/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,20,24)(H,21,25)/t13-,16-/m0/s1.
What are the key properties of (3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94201321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).