1-[3-(2,5-dioxopyrrolidin-1-yl)-4-methylphenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea

C19H25N3O3 — CID 95304351

IUPAC1-[3-(2,5-dioxopyrrolidin-1-yl)-4-methylphenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea
SMILESCc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C)cc1N1C(=O)CCC1=O
InChIInChI=1S/C19H25N3O3/c1-12-5-3-4-6-15(12)21-19(25)20-14-8-7-13(2)16(11-14)22-17(23)9-10-18(22)24/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H2,20,21,25)/t12-,15+/m1/s1
InChIKeyJEOHPWZIDMDYTJ-DOMZBBRYSA-N
MW343.43 g/mol
LogP3.35
Rot. Bonds3

About 1-[3-(2,5-dioxopyrrolidin-1-yl)-4-methylphenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea

1-[3-(2,5-dioxopyrrolidin-1-yl)-4-methylphenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea (PubChem CID 95304351) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[3-(2,5-dioxopyrrolidin-1-yl)-4-methylphenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea.

Molecular Properties

Compound Name1-[3-(2,5-dioxopyrrolidin-1-yl)-4-methylphenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea
PubChem CID95304351
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[3-(2,5-dioxopyrrolidin-1-yl)-4-methylphenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea
SMILESCc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C)cc1N1C(=O)CCC1=O
InChIInChI=1S/C19H25N3O3/c1-12-5-3-4-6-15(12)21-19(25)20-14-8-7-13(2)16(11-14)22-17(23)9-10-18(22)24/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H2,20,21,25)/t12-,15+/m1/s1
InChIKeyJEOHPWZIDMDYTJ-DOMZBBRYSA-N
XLogP3.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2S)-2-methylcyclohexyl]urea
CID 29056445
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 29056444
1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61191186
1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
CID 63279412
2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
CID 94059666
1-(2,4-dimethylphenyl)-3-(2-methylcyclohexyl)urea
CID 17265372
1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 60545836
2,3-dimethyl-5-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279593
3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide
CID 47034013
2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide
CID 18157580
[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 39905893

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dioxopyrrolidin-1-yl)-4-methylphenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea?
The IUPAC name of 1-[3-(2,5-dioxopyrrolidin-1-yl)-4-methylphenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea (CID 95304351) is 1-[3-(2,5-dioxopyrrolidin-1-yl)-4-methylphenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea.
What is the SMILES notation for 1-[3-(2,5-dioxopyrrolidin-1-yl)-4-methylphenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea?
The canonical SMILES for 1-[3-(2,5-dioxopyrrolidin-1-yl)-4-methylphenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea is Cc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C)cc1N1C(=O)CCC1=O.
What is the InChIKey of 1-[3-(2,5-dioxopyrrolidin-1-yl)-4-methylphenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea?
The InChIKey is JEOHPWZIDMDYTJ-DOMZBBRYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-5-3-4-6-15(12)21-19(25)20-14-8-7-13(2)16(11-14)22-17(23)9-10-18(22)24/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H2,20,21,25)/t12-,15+/m1/s1.
What are the key properties of 1-[3-(2,5-dioxopyrrolidin-1-yl)-4-methylphenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea?
1-[3-(2,5-dioxopyrrolidin-1-yl)-4-methylphenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea has a molecular weight of 343.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dioxopyrrolidin-1-yl)-4-methylphenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea is sourced from PubChem (CID 95304351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).