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

C21H25N3O2 — CID 71838784

IUPAC1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea
SMILESCc1cc(C)cc(N2CCC(NC(=O)Nc3cccc(C)c3C)C2=O)c1
InChIInChI=1S/C21H25N3O2/c1-13-10-14(2)12-17(11-13)24-9-8-19(20(24)25)23-21(26)22-18-7-5-6-15(3)16(18)4/h5-7,10-12,19H,8-9H2,1-4H3,(H2,22,23,26)
InChIKeyKKMDUDHJWNZQTC-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.85
Rot. Bonds3

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

1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea (PubChem CID 71838784) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea
PubChem CID71838784
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea
SMILESCc1cc(C)cc(N2CCC(NC(=O)Nc3cccc(C)c3C)C2=O)c1
InChIInChI=1S/C21H25N3O2/c1-13-10-14(2)12-17(11-13)24-9-8-19(20(24)25)23-21(26)22-18-7-5-6-15(3)16(18)4/h5-7,10-12,19H,8-9H2,1-4H3,(H2,22,23,26)
InChIKeyKKMDUDHJWNZQTC-UHFFFAOYSA-N
XLogP3.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 71838764
1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 53014861
1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838705
1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95269169
1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838702
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide
CID 71838984
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide
CID 71839005
2-methyl-6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258105
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838900
1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea
CID 17279836
1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 167807431

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea (CID 71838784) is 1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea is Cc1cc(C)cc(N2CCC(NC(=O)Nc3cccc(C)c3C)C2=O)c1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea?
The InChIKey is KKMDUDHJWNZQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-13-10-14(2)12-17(11-13)24-9-8-19(20(24)25)23-21(26)22-18-7-5-6-15(3)16(18)4/h5-7,10-12,19H,8-9H2,1-4H3,(H2,22,23,26).
What are the key properties of 1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea?
1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea has a molecular weight of 351.45 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 71838784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).