N-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C22H26N2O3 — CID 113183174

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CC(=O)N(Cc3ccccc3C)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-16-5-3-4-6-18(16)14-24-15-19(13-21(24)25)22(26)23-12-11-17-7-9-20(27-2)10-8-17/h3-10,19H,11-15H2,1-2H3,(H,23,26)
InChIKeySCVJZXVIBQWTTM-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.71
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113183174) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113183174
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CC(=O)N(Cc3ccccc3C)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-16-5-3-4-6-18(16)14-24-15-19(13-21(24)25)22(26)23-12-11-17-7-9-20(27-2)10-8-17/h3-10,19H,11-15H2,1-2H3,(H,23,26)
InChIKeySCVJZXVIBQWTTM-UHFFFAOYSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18074627
(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 93017903
1-butyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182004
N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4126186
(3S)-1-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767576
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113184516
1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186176
(3S)-N-[3-(dimethylamino)-3-oxopropyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95297526
1-[2-(4-methoxyphenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113184609
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113183699
methyl 2-[[(3R)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95293242

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 113183174) is N-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(CCNC(=O)C2CC(=O)N(Cc3ccccc3C)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SCVJZXVIBQWTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-5-3-4-6-18(16)14-24-15-19(13-21(24)25)22(26)23-12-11-17-7-9-20(27-2)10-8-17/h3-10,19H,11-15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113183174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).