(3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

C21H31N3O3 — CID 41020368

IUPAC(3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C21H31N3O3/c1-4-23-11-5-6-18(23)13-22-21(26)16-12-20(25)24(14-16)17-7-9-19(10-8-17)27-15(2)3/h7-10,15-16,18H,4-6,11-14H2,1-3H3,(H,22,26)/t16-,18-/m1/s1
InChIKeyGBIJOWBKNCTYBN-SJLPKXTDSA-N
MW373.50 g/mol
LogP2.43
Rot. Bonds7

About (3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

(3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 41020368) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is (3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
PubChem CID41020368
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name(3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C21H31N3O3/c1-4-23-11-5-6-18(23)13-22-21(26)16-12-20(25)24(14-16)17-7-9-19(10-8-17)27-15(2)3/h7-10,15-16,18H,4-6,11-14H2,1-3H3,(H,22,26)/t16-,18-/m1/s1
InChIKeyGBIJOWBKNCTYBN-SJLPKXTDSA-N
XLogP2.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 18525226
(3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 124749019
(3S)-1-cyclopentyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 100909546
N-[(4-chlorophenyl)methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188388
methyl 5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 10084873
(3R)-N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 7324231
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188397
N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188418
N-(4-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 579116
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
(4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 40979119
N-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791044

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (CID 41020368) is (3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1.
What is the InChIKey of (3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is GBIJOWBKNCTYBN-SJLPKXTDSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-4-23-11-5-6-18(23)13-22-21(26)16-12-20(25)24(14-16)17-7-9-19(10-8-17)27-15(2)3/h7-10,15-16,18H,4-6,11-14H2,1-3H3,(H,22,26)/t16-,18-/m1/s1.
What are the key properties of (3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
(3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 41020368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).