1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea

C16H24N2O3 — CID 111426672

IUPAC1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
SMILESCOCC(O)CNC(=O)NC(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C16H24N2O3/c1-11-3-5-12(6-4-11)15(13-7-8-13)18-16(20)17-9-14(19)10-21-2/h3-6,13-15,19H,7-10H2,1-2H3,(H2,17,18,20)
InChIKeyPMOPZCWRSWJDDN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.75
Rot. Bonds7

About 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea

1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea (PubChem CID 111426672) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea.

Molecular Properties

Compound Name1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
PubChem CID111426672
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
SMILESCOCC(O)CNC(=O)NC(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C16H24N2O3/c1-11-3-5-12(6-4-11)15(13-7-8-13)18-16(20)17-9-14(19)10-21-2/h3-6,13-15,19H,7-10H2,1-2H3,(H2,17,18,20)
InChIKeyPMOPZCWRSWJDDN-UHFFFAOYSA-N
XLogP1.75
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 111426760
1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 71981475
1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea
CID 38948033
N-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide
CID 71888657
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338532
1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438060
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol
CID 103910921
N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide
CID 42925489
1-(2,2-diphenylethyl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426647
1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
CID 17435926
methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate
CID 43787162
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea?
The IUPAC name of 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea (CID 111426672) is 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea.
What is the SMILES notation for 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea?
The canonical SMILES for 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea is COCC(O)CNC(=O)NC(c1ccc(C)cc1)C1CC1.
What is the InChIKey of 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea?
The InChIKey is PMOPZCWRSWJDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-3-5-12(6-4-11)15(13-7-8-13)18-16(20)17-9-14(19)10-21-2/h3-6,13-15,19H,7-10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea?
1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea has a molecular weight of 292.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea is sourced from PubChem (CID 111426672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).