1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea

C16H24N2O3 — CID 111976325

IUPAC1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea
SMILESCCOc1ccc(NC(=O)NC(C)(CO)C2CC2)c(C)c1
InChIInChI=1S/C16H24N2O3/c1-4-21-13-7-8-14(11(2)9-13)17-15(20)18-16(3,10-19)12-5-6-12/h7-9,12,19H,4-6,10H2,1-3H3,(H2,17,18,20)
InChIKeyQUILXBVLLIDKKU-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.68
Rot. Bonds6

About 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea (PubChem CID 111976325) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea
PubChem CID111976325
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea
SMILESCCOc1ccc(NC(=O)NC(C)(CO)C2CC2)c(C)c1
InChIInChI=1S/C16H24N2O3/c1-4-21-13-7-8-14(11(2)9-13)17-15(20)18-16(3,10-19)12-5-6-12/h7-9,12,19H,4-6,10H2,1-3H3,(H2,17,18,20)
InChIKeyQUILXBVLLIDKKU-UHFFFAOYSA-N
XLogP2.68
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.68
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-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 110933023
1-(4-ethoxy-2-methylphenyl)-3-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 96525276
1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 96525275
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea
CID 111976204
1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47264843
4-amino-N-(4-ethoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 60928404
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea
CID 111976449
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976400
1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea
CID 138042025
1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335622
2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933889

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea?
The IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea (CID 111976325) is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea?
The canonical SMILES for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea is CCOc1ccc(NC(=O)NC(C)(CO)C2CC2)c(C)c1.
What is the InChIKey of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea?
The InChIKey is QUILXBVLLIDKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-21-13-7-8-14(11(2)9-13)17-15(20)18-16(3,10-19)12-5-6-12/h7-9,12,19H,4-6,10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea?
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea has a molecular weight of 292.38 g/mol, XLogP of 2.68, 6 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-(4-ethoxy-2-methylphenyl)urea is sourced from PubChem (CID 111976325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).