1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea

C18H22N2O3 — CID 110010652

IUPAC1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea
SMILESCc1ccc(Oc2ccccc2)c(NC(=O)N(C)C(C)CO)c1
InChIInChI=1S/C18H22N2O3/c1-13-9-10-17(23-15-7-5-4-6-8-15)16(11-13)19-18(22)20(3)14(2)12-21/h4-11,14,21H,12H2,1-3H3,(H,19,22)
InChIKeyVDPNRTKPCUMQEH-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.63
Rot. Bonds5

About 1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea

1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea (PubChem CID 110010652) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea
PubChem CID110010652
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea
SMILESCc1ccc(Oc2ccccc2)c(NC(=O)N(C)C(C)CO)c1
InChIInChI=1S/C18H22N2O3/c1-13-9-10-17(23-15-7-5-4-6-8-15)16(11-13)19-18(22)20(3)14(2)12-21/h4-11,14,21H,12H2,1-3H3,(H,19,22)
InChIKeyVDPNRTKPCUMQEH-UHFFFAOYSA-N
XLogP3.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-methyl-2-phenoxyphenyl)propanediamide
CID 155950996
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide
CID 40799840
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide
CID 40799845
N-(5-methyl-2-phenoxyphenyl)formamide
CID 2336214
(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 9172968
3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61184429
N-(2-methoxy-5-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
CID 2108595
2-(2-methoxy-4-methylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 35079349
5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid
CID 61201776
2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 104553093
1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea
CID 111105100
4-fluoro-3-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 113426143

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea (CID 110010652) is 1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea is Cc1ccc(Oc2ccccc2)c(NC(=O)N(C)C(C)CO)c1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea?
The InChIKey is VDPNRTKPCUMQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-9-10-17(23-15-7-5-4-6-8-15)16(11-13)19-18(22)20(3)14(2)12-21/h4-11,14,21H,12H2,1-3H3,(H,19,22).
What are the key properties of 1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea?
1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea has a molecular weight of 314.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea is sourced from PubChem (CID 110010652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).