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

C13H20N2O2 — CID 110901359

IUPAC1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCc1ccc(CNC(=O)NC(C)CO)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-9-4-5-12(10(2)6-9)7-14-13(17)15-11(3)8-16/h4-6,11,16H,7-8H2,1-3H3,(H2,14,15,17)
InChIKeySUACXVKUQYJOBS-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.48
Rot. Bonds4

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

1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea (PubChem CID 110901359) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
PubChem CID110901359
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCc1ccc(CNC(=O)NC(C)CO)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-9-4-5-12(10(2)6-9)7-14-13(17)15-11(3)8-16/h4-6,11,16H,7-8H2,1-3H3,(H2,14,15,17)
InChIKeySUACXVKUQYJOBS-UHFFFAOYSA-N
XLogP1.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054
1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890301
N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722
1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 60590409
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
CID 110774794
2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82110635
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464
2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 75871769
3-[(2,4-dimethylphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 115164254
1-[(2,4-dimethylphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338177
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea
CID 110910304

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea (CID 110901359) is 1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea is Cc1ccc(CNC(=O)NC(C)CO)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is SUACXVKUQYJOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-4-5-12(10(2)6-9)7-14-13(17)15-11(3)8-16/h4-6,11,16H,7-8H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea?
1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 236.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 110901359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).