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

C21H25N3O2 — CID 71838762

IUPAC1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
SMILESCc1cc(C)cc(N2CCC(NC(=O)NCCc3ccccc3)C2=O)c1
InChIInChI=1S/C21H25N3O2/c1-15-12-16(2)14-18(13-15)24-11-9-19(20(24)25)23-21(26)22-10-8-17-6-4-3-5-7-17/h3-7,12-14,19H,8-11H2,1-2H3,(H2,22,23,26)
InChIKeyLGDSAKSOIRXGKN-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.95
Rot. Bonds5

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

1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea (PubChem CID 71838762) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
PubChem CID71838762
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
SMILESCc1cc(C)cc(N2CCC(NC(=O)NCCc3ccccc3)C2=O)c1
InChIInChI=1S/C21H25N3O2/c1-15-12-16(2)14-18(13-15)24-11-9-19(20(24)25)23-21(26)22-10-8-17-6-4-3-5-7-17/h3-7,12-14,19H,8-11H2,1-2H3,(H2,22,23,26)
InChIKeyLGDSAKSOIRXGKN-UHFFFAOYSA-N
XLogP2.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 53014861
4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 122001533
1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838784
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048610
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide
CID 71839005
1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 71838764
3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid
CID 122002288
1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 71838793
1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95051231
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108874

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea (CID 71838762) is 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea is Cc1cc(C)cc(N2CCC(NC(=O)NCCc3ccccc3)C2=O)c1.
What is the InChIKey of 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
The InChIKey is LGDSAKSOIRXGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-12-16(2)14-18(13-15)24-11-9-19(20(24)25)23-21(26)22-10-8-17-6-4-3-5-7-17/h3-7,12-14,19H,8-11H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea has a molecular weight of 351.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 71838762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).