1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea

C22H27N3O2 — CID 7543680

IUPAC1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c(C)c1
InChIInChI=1S/C22H27N3O2/c1-13-8-16(4)21(17(5)9-13)24-22(27)23-18-11-20(26)25(12-18)19-7-6-14(2)15(3)10-19/h6-10,18H,11-12H2,1-5H3,(H2,23,24,27)/t18-/m1/s1
InChIKeyJDRSGLTULYIPKF-GOSISDBHSA-N
MW365.48 g/mol
LogP4.16
Rot. Bonds3

About 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea

1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea (PubChem CID 7543680) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea
PubChem CID7543680
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c(C)c1
InChIInChI=1S/C22H27N3O2/c1-13-8-16(4)21(17(5)9-13)24-22(27)23-18-11-20(26)25(12-18)19-7-6-14(2)15(3)10-19/h6-10,18H,11-12H2,1-5H3,(H2,23,24,27)/t18-/m1/s1
InChIKeyJDRSGLTULYIPKF-GOSISDBHSA-N
XLogP4.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea with MolForge

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Related Compounds

1-(4-bromophenyl)-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543479
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 7543094
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea
CID 18564184
1-(4-anilinophenyl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969649
1-(3,4-dichlorophenyl)-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543572
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 43969606
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea
CID 43969641
methyl N-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]carbamate
CID 7543831
1-(2-chloroethyl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969553
2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
CID 7215092
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 16819747
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 43970862

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea (CID 7543680) is 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c(C)c1.
What is the InChIKey of 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is JDRSGLTULYIPKF-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-13-8-16(4)21(17(5)9-13)24-22(27)23-18-11-20(26)25(12-18)19-7-6-14(2)15(3)10-19/h6-10,18H,11-12H2,1-5H3,(H2,23,24,27)/t18-/m1/s1.
What are the key properties of 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea?
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 365.48 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 7543680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).