1,3-dimethyl-1-(4-propan-2-yloxyphenyl)urea

C12H18N2O2 — CID 115169003

IUPAC1,3-dimethyl-1-(4-propan-2-yloxyphenyl)urea
SMILESCNC(=O)N(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C12H18N2O2/c1-9(2)16-11-7-5-10(6-8-11)14(4)12(15)13-3/h5-9H,1-4H3,(H,13,15)
InChIKeyOBHPLMCMXUSCOJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.25
Rot. Bonds3

About 1,3-dimethyl-1-(4-propan-2-yloxyphenyl)urea

1,3-dimethyl-1-(4-propan-2-yloxyphenyl)urea (PubChem CID 115169003) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,3-dimethyl-1-(4-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1,3-dimethyl-1-(4-propan-2-yloxyphenyl)urea
PubChem CID115169003
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1,3-dimethyl-1-(4-propan-2-yloxyphenyl)urea
SMILESCNC(=O)N(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C12H18N2O2/c1-9(2)16-11-7-5-10(6-8-11)14(4)12(15)13-3/h5-9H,1-4H3,(H,13,15)
InChIKeyOBHPLMCMXUSCOJ-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-1,3-dimethylurea
CID 116655338
N-methyl-2-(methylamino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 96676263
1-(4-hydroxyphenyl)-1,3-dimethylurea
CID 115281222
2-(ethylamino)-N-methyl-N-(4-propan-2-yloxyphenyl)acetamide
CID 115157788
3-(N-methyl-4-propan-2-yloxyanilino)butanoic acid
CID 112510494
N-methyl-4-propan-2-yloxyaniline
CID 18002910
N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline
CID 159991714
(2S)-2-[[(4-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 62002877
methyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932725
3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea
CID 108879857
3-methyl-4-(N-methyl-4-propan-2-yloxyanilino)butanoic acid
CID 115219827
4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(4-propan-2-yloxyphenyl)urea?
The IUPAC name of 1,3-dimethyl-1-(4-propan-2-yloxyphenyl)urea (CID 115169003) is 1,3-dimethyl-1-(4-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1,3-dimethyl-1-(4-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1,3-dimethyl-1-(4-propan-2-yloxyphenyl)urea is CNC(=O)N(C)c1ccc(OC(C)C)cc1.
What is the InChIKey of 1,3-dimethyl-1-(4-propan-2-yloxyphenyl)urea?
The InChIKey is OBHPLMCMXUSCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)16-11-7-5-10(6-8-11)14(4)12(15)13-3/h5-9H,1-4H3,(H,13,15).
What are the key properties of 1,3-dimethyl-1-(4-propan-2-yloxyphenyl)urea?
1,3-dimethyl-1-(4-propan-2-yloxyphenyl)urea has a molecular weight of 222.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(4-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 115169003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).