1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea

C18H22N2O — CID 108888011

IUPAC1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea
SMILESCCC(C)c1ccccc1NC(=O)Nc1cccc(C)c1
InChIInChI=1S/C18H22N2O/c1-4-14(3)16-10-5-6-11-17(16)20-18(21)19-15-9-7-8-13(2)12-15/h5-12,14H,4H2,1-3H3,(H2,19,20,21)
InChIKeyRRMRUORNPGAEJF-UHFFFAOYSA-N
MW282.39 g/mol
LogP5.15
Rot. Bonds4

About 1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea

1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea (PubChem CID 108888011) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea
PubChem CID108888011
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea
SMILESCCC(C)c1ccccc1NC(=O)Nc1cccc(C)c1
InChIInChI=1S/C18H22N2O/c1-4-14(3)16-10-5-6-11-17(16)20-18(21)19-15-9-7-8-13(2)12-15/h5-12,14H,4H2,1-3H3,(H2,19,20,21)
InChIKeyRRMRUORNPGAEJF-UHFFFAOYSA-N
XLogP5.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea
CID 970476
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide
CID 108532602
N-[2-[(2S)-butan-2-yl]phenyl]-2-(3-methylphenoxy)acetamide
CID 890267
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
1-(2-butan-2-ylphenyl)-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea
CID 108872336
1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 108899158
(2R)-2-(3-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 39415589
1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910430
2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide
CID 7997045
N-(3-methylphenyl)-2-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanylacetamide
CID 7731424
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea (CID 108888011) is 1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea is CCC(C)c1ccccc1NC(=O)Nc1cccc(C)c1.
What is the InChIKey of 1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea?
The InChIKey is RRMRUORNPGAEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-14(3)16-10-5-6-11-17(16)20-18(21)19-15-9-7-8-13(2)12-15/h5-12,14H,4H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea?
1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea has a molecular weight of 282.39 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 108888011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).