1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea

C14H22N2O — CID 47192192

IUPAC1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea
SMILESCc1cccc(NC(=O)NCCC(C)C)c1C
InChIInChI=1S/C14H22N2O/c1-10(2)8-9-15-14(17)16-13-7-5-6-11(3)12(13)4/h5-7,10H,8-9H2,1-4H3,(H2,15,16,17)
InChIKeySHMDOZJFHMBFCY-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.47
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea

1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea (PubChem CID 47192192) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea
PubChem CID47192192
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea
SMILESCc1cccc(NC(=O)NCCC(C)C)c1C
InChIInChI=1S/C14H22N2O/c1-10(2)8-9-15-14(17)16-13-7-5-6-11(3)12(13)4/h5-7,10H,8-9H2,1-4H3,(H2,15,16,17)
InChIKeySHMDOZJFHMBFCY-UHFFFAOYSA-N
XLogP3.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47238057
1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea
CID 47195294
2,3-dimethyl-N-(3-methylbutyl)aniline
CID 29053614
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea
CID 110618442
4-[(3-iodo-2-methylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 114257694
1-(2,3-dimethylphenyl)-3-[2-(3-hydroxypropylsulfanyl)ethyl]urea
CID 111105028
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 17263304
N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide
CID 60576974
(2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 6956422
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881295

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea (CID 47192192) is 1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea is Cc1cccc(NC(=O)NCCC(C)C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea?
The InChIKey is SHMDOZJFHMBFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)8-9-15-14(17)16-13-7-5-6-11(3)12(13)4/h5-7,10H,8-9H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea?
1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea has a molecular weight of 234.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea is sourced from PubChem (CID 47192192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).