1-(2-methylcyclohexyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea

C19H27N3O2 — CID 43969419

IUPAC1-(2-methylcyclohexyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCc1ccc(N2CC(NC(=O)NC3CCCCC3C)CC2=O)cc1
InChIInChI=1S/C19H27N3O2/c1-13-7-9-16(10-8-13)22-12-15(11-18(22)23)20-19(24)21-17-6-4-3-5-14(17)2/h7-10,14-15,17H,3-6,11-12H2,1-2H3,(H2,20,21,24)
InChIKeyUSHGJXCRBXCFQL-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.98
Rot. Bonds3

About 1-(2-methylcyclohexyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea

1-(2-methylcyclohexyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 43969419) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID43969419
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-(2-methylcyclohexyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCc1ccc(N2CC(NC(=O)NC3CCCCC3C)CC2=O)cc1
InChIInChI=1S/C19H27N3O2/c1-13-7-9-16(10-8-13)22-12-15(11-18(22)23)20-19(24)21-17-6-4-3-5-14(17)2/h7-10,14-15,17H,3-6,11-12H2,1-2H3,(H2,20,21,24)
InChIKeyUSHGJXCRBXCFQL-UHFFFAOYSA-N
XLogP2.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 43969395
1-cyclopentyl-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970310
1-cyclopentyl-3-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548063
1-cyclopentyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548061
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
1-cyclohexyl-1-methyl-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 16801412
tert-butyl N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 122445967
1-(2-chloroethyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513705
1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513394
1-(4-bromophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564143
1-(4-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513855
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 7548160

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(2-methylcyclohexyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea (CID 43969419) is 1-(2-methylcyclohexyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2-methylcyclohexyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2-methylcyclohexyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea is Cc1ccc(N2CC(NC(=O)NC3CCCCC3C)CC2=O)cc1.
What is the InChIKey of 1-(2-methylcyclohexyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is USHGJXCRBXCFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-7-9-16(10-8-13)22-12-15(11-18(22)23)20-19(24)21-17-6-4-3-5-14(17)2/h7-10,14-15,17H,3-6,11-12H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-(2-methylcyclohexyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
1-(2-methylcyclohexyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 329.44 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 43969419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).