N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide

C22H26N2O3 — CID 7255127

IUPACN-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-15-4-8-19(12-16(15)2)24-14-18(13-22(24)26)23-21(25)11-7-17-5-9-20(27-3)10-6-17/h4-6,8-10,12,18H,7,11,13-14H2,1-3H3,(H,23,25)/t18-/m0/s1
InChIKeyIVNBWZJBSWESKS-SFHVURJKSA-N
MW366.46 g/mol
LogP3.17
Rot. Bonds6

About N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide

N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 7255127) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide
PubChem CID7255127
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-15-4-8-19(12-16(15)2)24-14-18(13-22(24)26)23-21(25)11-7-17-5-9-20(27-3)10-6-17/h4-6,8-10,12,18H,7,11,13-14H2,1-3H3,(H,23,25)/t18-/m0/s1
InChIKeyIVNBWZJBSWESKS-SFHVURJKSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7255066
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 7255110
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 16822158
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 18573415
3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7547596
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea
CID 18564184
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 7547881
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 7547885
1-[2-(4-methoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564273
ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 43971015
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 7563965
2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7547833

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide (CID 7255127) is N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1.
What is the InChIKey of N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is IVNBWZJBSWESKS-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-4-8-19(12-16(15)2)24-14-18(13-22(24)26)23-21(25)11-7-17-5-9-20(27-3)10-6-17/h4-6,8-10,12,18H,7,11,13-14H2,1-3H3,(H,23,25)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide?
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 366.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 7255127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).