N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide

C21H24N2O4 — CID 7564250

IUPACN-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
SMILESCOc1ccc(N2C[C@H](NC(=O)c3ccc(C)c(C)c3)CC2=O)cc1OC
InChIInChI=1S/C21H24N2O4/c1-13-5-6-15(9-14(13)2)21(25)22-16-10-20(24)23(12-16)17-7-8-18(26-3)19(11-17)27-4/h5-9,11,16H,10,12H2,1-4H3,(H,22,25)/t16-/m1/s1
InChIKeyRFMMBKPITYFZJH-MRXNPFEDSA-N
MW368.43 g/mol
LogP2.86
Rot. Bonds5

About N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide

N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide (PubChem CID 7564250) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
PubChem CID7564250
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
SMILESCOc1ccc(N2C[C@H](NC(=O)c3ccc(C)c(C)c3)CC2=O)cc1OC
InChIInChI=1S/C21H24N2O4/c1-13-5-6-15(9-14(13)2)21(25)22-16-10-20(24)23(12-16)17-7-8-18(26-3)19(11-17)27-4/h5-9,11,16H,10,12H2,1-4H3,(H,22,25)/t16-/m1/s1
InChIKeyRFMMBKPITYFZJH-MRXNPFEDSA-N
XLogP2.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 18573314
4-bromo-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971347
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 43971351
3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7564303
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-nitrobenzamide
CID 16822374
1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3,4-dimethylphenyl)urea
CID 7552537
3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546685
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 7547797
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzamide
CID 7547730
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 43971113
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 16822138
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7547623

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide (CID 7564250) is N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide is COc1ccc(N2C[C@H](NC(=O)c3ccc(C)c(C)c3)CC2=O)cc1OC.
What is the InChIKey of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide?
The InChIKey is RFMMBKPITYFZJH-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13-5-6-15(9-14(13)2)21(25)22-16-10-20(24)23(12-16)17-7-8-18(26-3)19(11-17)27-4/h5-9,11,16H,10,12H2,1-4H3,(H,22,25)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide?
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide has a molecular weight of 368.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 7564250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).