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

C22H26N2O3 — CID 113183329

IUPAC1-[(3-methylphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCc1cccc(CN2CC(C(=O)Nc3ccc(OC(C)C)cc3)CC2=O)c1
InChIInChI=1S/C22H26N2O3/c1-15(2)27-20-9-7-19(8-10-20)23-22(26)18-12-21(25)24(14-18)13-17-6-4-5-16(3)11-17/h4-11,15,18H,12-14H2,1-3H3,(H,23,26)
InChIKeyDEBVYAMPJHDXJT-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.77
Rot. Bonds6

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

1-[(3-methylphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 113183329) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
PubChem CID113183329
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-[(3-methylphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCc1cccc(CN2CC(C(=O)Nc3ccc(OC(C)C)cc3)CC2=O)c1
InChIInChI=1S/C22H26N2O3/c1-15(2)27-20-9-7-19(8-10-20)23-22(26)18-12-21(25)24(14-18)13-17-6-4-5-16(3)11-17/h4-11,15,18H,12-14H2,1-3H3,(H,23,26)
InChIKeyDEBVYAMPJHDXJT-UHFFFAOYSA-N
XLogP3.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methylphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 94183042
N-(3,4-dichlorophenyl)-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183358
(3R)-1-benzyl-N-[4-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8502653
1-[(3-bromophenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46109647
1-[(2-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113183860
5-oxo-1-pentyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113185733
(3S)-1-[(4-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017840
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51064472
5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 168696080
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
1-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185132
(3R)-1-benzyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40606403

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[(3-methylphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (CID 113183329) is 1-[(3-methylphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is Cc1cccc(CN2CC(C(=O)Nc3ccc(OC(C)C)cc3)CC2=O)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is DEBVYAMPJHDXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(2)27-20-9-7-19(8-10-20)23-22(26)18-12-21(25)24(14-18)13-17-6-4-5-16(3)11-17/h4-11,15,18H,12-14H2,1-3H3,(H,23,26).
What are the key properties of 1-[(3-methylphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
1-[(3-methylphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113183329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).