1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea

C12H18N2O2 — CID 110890301

IUPAC1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
SMILESCc1ccc(NC(=O)NC(C)CO)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-8-4-5-11(9(2)6-8)14-12(16)13-10(3)7-15/h4-6,10,15H,7H2,1-3H3,(H2,13,14,16)
InChIKeyUDKNBPBABHRDTN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.81
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea

1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea (PubChem CID 110890301) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
PubChem CID110890301
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
SMILESCc1ccc(NC(=O)NC(C)CO)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-8-4-5-11(9(2)6-8)14-12(16)13-10(3)7-15/h4-6,10,15H,7H2,1-3H3,(H2,13,14,16)
InChIKeyUDKNBPBABHRDTN-UHFFFAOYSA-N
XLogP1.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid
CID 61187279
(2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 945244
2-(2,4-dimethylanilino)propan-1-ol
CID 130502576
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid
CID 61187462
1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110901359
methyl 2-[(2,4-dimethylphenyl)carbamoylamino]-3-methylbutanoate
CID 3567135
(2S)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194479
1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 40637085
1-(3,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890307
1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 95155199
1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 40629630

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea (CID 110890301) is 1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea is Cc1ccc(NC(=O)NC(C)CO)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is UDKNBPBABHRDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-4-5-11(9(2)6-8)14-12(16)13-10(3)7-15/h4-6,10,15H,7H2,1-3H3,(H2,13,14,16).
What are the key properties of 1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea?
1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 222.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 110890301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).