1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea

C15H24N2O2 — CID 111120935

IUPAC1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)NCC(C)(O)C(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)15(4,19)10-17-14(18)16-9-13-7-5-6-12(3)8-13/h5-8,11,19H,9-10H2,1-4H3,(H2,16,17,18)
InChIKeyPOWCWIZCTPZZFF-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.20
Rot. Bonds5

About 1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea

1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea (PubChem CID 111120935) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea
PubChem CID111120935
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)NCC(C)(O)C(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)15(4,19)10-17-14(18)16-9-13-7-5-6-12(3)8-13/h5-8,11,19H,9-10H2,1-4H3,(H2,16,17,18)
InChIKeyPOWCWIZCTPZZFF-UHFFFAOYSA-N
XLogP2.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-2,2-dimethylpentyl)-3-[(3-methylphenyl)methyl]urea
CID 111479334
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778
1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea
CID 110910094
2,3-dimethyl-1-(3-methylphenyl)butan-2-ol
CID 60798225
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120995
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923
1-(2-hydroxy-2,3-dimethylbutyl)-3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea
CID 111508975
1-[(3-methylphenyl)methyl]-3-(3-oxobutyl)urea
CID 108895266
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-methyl-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 62847250
N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961493
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea?
The IUPAC name of 1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea (CID 111120935) is 1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea is Cc1cccc(CNC(=O)NCC(C)(O)C(C)C)c1.
What is the InChIKey of 1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea?
The InChIKey is POWCWIZCTPZZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)15(4,19)10-17-14(18)16-9-13-7-5-6-12(3)8-13/h5-8,11,19H,9-10H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea?
1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea has a molecular weight of 264.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 111120935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).