(2S,3R)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

C19H26N2O4 — CID 97259157

IUPAC(2S,3R)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C19H26N2O4/c1-12(11-24-2)20-19(23)16-10-17(22)21(14-7-8-14)18(16)13-5-4-6-15(9-13)25-3/h4-6,9,12,14,16,18H,7-8,10-11H2,1-3H3,(H,20,23)/t12-,16+,18+/m0/s1
InChIKeyJEXXCNHVXUNEKD-BJOOFOGMSA-N
MW346.43 g/mol
LogP1.90
Rot. Bonds7

About (2S,3R)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

(2S,3R)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97259157) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2S,3R)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97259157
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(2S,3R)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C19H26N2O4/c1-12(11-24-2)20-19(23)16-10-17(22)21(14-7-8-14)18(16)13-5-4-6-15(9-13)25-3/h4-6,9,12,14,16,18H,7-8,10-11H2,1-3H3,(H,20,23)/t12-,16+,18+/m0/s1
InChIKeyJEXXCNHVXUNEKD-BJOOFOGMSA-N
XLogP1.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-1-cyclopropyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97259219
(3S)-1-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9376574
(3R)-1-(2,4-dimethoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9351694
2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 24639536
3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45176393
2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764
4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95156327
(3S)-1-(3-methoxyphenyl)-5-oxo-N-[(2S)-pentan-2-yl]pyrrolidine-3-carboxamide
CID 9376482
1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea
CID 119072862
(4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 178192247
(3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93150886
(3S)-N-(3-methoxyphenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365141

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2S,3R)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 97259157) is (2S,3R)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3R)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is COC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1cccc(OC)c1.
What is the InChIKey of (2S,3R)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JEXXCNHVXUNEKD-BJOOFOGMSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12(11-24-2)20-19(23)16-10-17(22)21(14-7-8-14)18(16)13-5-4-6-15(9-13)25-3/h4-6,9,12,14,16,18H,7-8,10-11H2,1-3H3,(H,20,23)/t12-,16+,18+/m0/s1.
What are the key properties of (2S,3R)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
(2S,3R)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97259157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).