1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea

C15H22N2O3 — CID 111976234

IUPAC1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NC(C)(CO)C1CC1
InChIInChI=1S/C15H22N2O3/c1-10-4-7-13(20-3)12(8-10)16-14(19)17-15(2,9-18)11-5-6-11/h4,7-8,11,18H,5-6,9H2,1-3H3,(H2,16,17,19)
InChIKeyZWCISLIUQQNRNZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.29
Rot. Bonds5

About 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 111976234) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
PubChem CID111976234
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NC(C)(CO)C1CC1
InChIInChI=1S/C15H22N2O3/c1-10-4-7-13(20-3)12(8-10)16-14(19)17-15(2,9-18)11-5-6-11/h4,7-8,11,18H,5-6,9H2,1-3H3,(H2,16,17,19)
InChIKeyZWCISLIUQQNRNZ-UHFFFAOYSA-N
XLogP2.29
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-ethoxy-4-methylphenyl)urea
CID 111976318
1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea
CID 111636078
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 8708974
1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915032
N-(2-methoxy-5-methylphenyl)-3-methyl-3-(methylamino)butanamide
CID 110838289
1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
CID 3855926
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 113216860
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 108991730
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 111631319
1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 3670112

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea (CID 111976234) is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)NC(C)(CO)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is ZWCISLIUQQNRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-4-7-13(20-3)12(8-10)16-14(19)17-15(2,9-18)11-5-6-11/h4,7-8,11,18H,5-6,9H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea?
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 278.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 111976234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).