(3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide

C19H23N3O3 — CID 42560602

IUPAC(3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C19H23N3O3/c1-4-10-21(11-5-2)19(25)15-12-18(24)22(13-15)17-8-6-16(7-9-17)20-14(3)23/h4-9,15H,1-2,10-13H2,3H3,(H,20,23)/t15-/m1/s1
InChIKeyOUXKPDIGWVAZJM-OAHLLOKOSA-N
MW341.41 g/mol
LogP2.20
Rot. Bonds7

About (3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide

(3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide (PubChem CID 42560602) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide
PubChem CID42560602
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C19H23N3O3/c1-4-10-21(11-5-2)19(25)15-12-18(24)22(13-15)17-8-6-16(7-9-17)20-14(3)23/h4-9,15H,1-2,10-13H2,3H3,(H,20,23)/t15-/m1/s1
InChIKeyOUXKPDIGWVAZJM-OAHLLOKOSA-N
XLogP2.20
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113189096
1-(4-acetamidophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113189079
1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113189037
(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 2266184
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
1-(2,5-dimethylphenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide
CID 17151749
(3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 39992942
(3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40965785
N-[4-[(4S)-4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 27844701
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
N-[4-[4-(4-ethylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 17120155

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide (CID 42560602) is (3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide is C=CCN(CC=C)C(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1.
What is the InChIKey of (3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide?
The InChIKey is OUXKPDIGWVAZJM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-10-21(11-5-2)19(25)15-12-18(24)22(13-15)17-8-6-16(7-9-17)20-14(3)23/h4-9,15H,1-2,10-13H2,3H3,(H,20,23)/t15-/m1/s1.
What are the key properties of (3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide?
(3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42560602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).