N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide

C19H23N3O3 — CID 131900696

IUPACN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN1CC(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)CC1=O
InChIInChI=1S/C19H23N3O3/c1-3-8-21-12-14(11-18(21)24)19(25)20-15-6-7-16(13(2)10-15)22-9-4-5-17(22)23/h3,6-7,10,14H,1,4-5,8-9,11-12H2,2H3,(H,20,25)
InChIKeyBGHGUFAVZYLBON-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.09
Rot. Bonds5

About N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide

N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 131900696) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID131900696
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN1CC(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)CC1=O
InChIInChI=1S/C19H23N3O3/c1-3-8-21-12-14(11-18(21)24)19(25)20-15-6-7-16(13(2)10-15)22-9-4-5-17(22)23/h3,6-7,10,14H,1,4-5,8-9,11-12H2,2H3,(H,20,25)
InChIKeyBGHGUFAVZYLBON-UHFFFAOYSA-N
XLogP2.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.09
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

N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18289629
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
(3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 51982092
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60711549
tert-butyl 3-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42932758
5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 43347098
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718577
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
N-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 171686508
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 131903203
4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 131927684

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide (CID 131900696) is N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide is C=CCN1CC(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)CC1=O.
What is the InChIKey of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is BGHGUFAVZYLBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-8-21-12-14(11-18(21)24)19(25)20-15-6-7-16(13(2)10-15)22-9-4-5-17(22)23/h3,6-7,10,14H,1,4-5,8-9,11-12H2,2H3,(H,20,25).
What are the key properties of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 131900696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).