1-(3,5-dimethylphenyl)-3-propan-2-ylurea

C12H18N2O — CID 4054179

IUPAC1-(3,5-dimethylphenyl)-3-propan-2-ylurea
SMILESCc1cc(C)cc(NC(=O)NC(C)C)c1
InChIInChI=1S/C12H18N2O/c1-8(2)13-12(15)14-11-6-9(3)5-10(4)7-11/h5-8H,1-4H3,(H2,13,14,15)
InChIKeyCISRMVBYLJIVTC-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.83
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-3-propan-2-ylurea

1-(3,5-dimethylphenyl)-3-propan-2-ylurea (PubChem CID 4054179) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-propan-2-ylurea
PubChem CID4054179
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(3,5-dimethylphenyl)-3-propan-2-ylurea
SMILESCc1cc(C)cc(NC(=O)NC(C)C)c1
InChIInChI=1S/C12H18N2O/c1-8(2)13-12(15)14-11-6-9(3)5-10(4)7-11/h5-8H,1-4H3,(H2,13,14,15)
InChIKeyCISRMVBYLJIVTC-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[6-(3,5-dimethylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113017108
3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 31873928
N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51159202
(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61191039
1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
2,3-dimethyl-5-(propan-2-ylcarbamoylamino)benzoic acid
CID 63021042
(2R)-2-[(3-bromo-5-methylphenyl)carbamoylamino]propanoic acid
CID 107576611
2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide
CID 43084818
(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]pentanedioic acid
CID 61191038
(2R)-2-[(3-bromo-5-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 107576590
2-[(3-fluoro-5-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 79049368
3-[(3-bromo-5-methylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 107576596

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-propan-2-ylurea (CID 4054179) is 1-(3,5-dimethylphenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-propan-2-ylurea is Cc1cc(C)cc(NC(=O)NC(C)C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-propan-2-ylurea?
The InChIKey is CISRMVBYLJIVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)13-12(15)14-11-6-9(3)5-10(4)7-11/h5-8H,1-4H3,(H2,13,14,15).
What are the key properties of 1-(3,5-dimethylphenyl)-3-propan-2-ylurea?
1-(3,5-dimethylphenyl)-3-propan-2-ylurea has a molecular weight of 206.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-propan-2-ylurea is sourced from PubChem (CID 4054179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).