(3R)-5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C24H27N3O4 — CID 7230487

IUPAC(3R)-5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C24H27N3O4/c1-4-13-25-24(30)20-7-5-6-8-21(20)26-23(29)17-14-22(28)27(15-17)18-9-11-19(12-10-18)31-16(2)3/h4-12,16-17H,1,13-15H2,2-3H3,(H,25,30)(H,26,29)/t17-/m1/s1
InChIKeyIXGLOLDQISFILL-QGZVFWFLSA-N
MW421.50 g/mol
LogP3.38
Rot. Bonds8

About (3R)-5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

(3R)-5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 7230487) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is (3R)-5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID7230487
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name(3R)-5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C24H27N3O4/c1-4-13-25-24(30)20-7-5-6-8-21(20)26-23(29)17-14-22(28)27(15-17)18-9-11-19(12-10-18)31-16(2)3/h4-12,16-17H,1,13-15H2,2-3H3,(H,25,30)(H,26,29)/t17-/m1/s1
InChIKeyIXGLOLDQISFILL-QGZVFWFLSA-N
XLogP3.38
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(4-ethylphenyl)-5-oxo-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40715031
(3R)-1-(4-ethylphenyl)-5-oxo-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40715027
(3R)-N-(2-bromophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 7323830
(3R)-1-(2-fluorophenyl)-5-oxo-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 37004962
(3R)-N-[2-(benzylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1006938
(3S)-1-(4-ethoxyphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 34749282
1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17120224
N-(4-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 579116
(3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 124749019
1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17120257
1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 2955877
(3R)-N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 7324231

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 7230487) is (3R)-5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1.
What is the InChIKey of (3R)-5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is IXGLOLDQISFILL-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-4-13-25-24(30)20-7-5-6-8-21(20)26-23(29)17-14-22(28)27(15-17)18-9-11-19(12-10-18)31-16(2)3/h4-12,16-17H,1,13-15H2,2-3H3,(H,25,30)(H,26,29)/t17-/m1/s1.
What are the key properties of (3R)-5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
(3R)-5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 7230487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).