1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea

C21H25N3O3 — CID 71838764

IUPAC1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NC1CCN(c2cc(C)cc(C)c2)C1=O
InChIInChI=1S/C21H25N3O3/c1-13-5-6-19(27-4)18(12-13)23-21(26)22-17-7-8-24(20(17)25)16-10-14(2)9-15(3)11-16/h5-6,9-12,17H,7-8H2,1-4H3,(H2,22,23,26)
InChIKeyXRWMPJWLARUYCV-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.55
Rot. Bonds4

About 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea

1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 71838764) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID71838764
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NC1CCN(c2cc(C)cc(C)c2)C1=O
InChIInChI=1S/C21H25N3O3/c1-13-5-6-19(27-4)18(12-13)23-21(26)22-17-7-8-24(20(17)25)16-10-14(2)9-15(3)11-16/h5-6,9-12,17H,7-8H2,1-4H3,(H2,22,23,26)
InChIKeyXRWMPJWLARUYCV-UHFFFAOYSA-N
XLogP3.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838900
1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 53014861
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide
CID 71839005
1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95269169
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide
CID 71838984
1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838850
cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324088
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 86975962
1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea
CID 71838789
1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 71838762
(2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 7611381
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 71838519

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea (CID 71838764) is 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)NC1CCN(c2cc(C)cc(C)c2)C1=O.
What is the InChIKey of 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is XRWMPJWLARUYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13-5-6-19(27-4)18(12-13)23-21(26)22-17-7-8-24(20(17)25)16-10-14(2)9-15(3)11-16/h5-6,9-12,17H,7-8H2,1-4H3,(H2,22,23,26).
What are the key properties of 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea?
1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 367.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 71838764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).