1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea

C18H30N2O2 — CID 111506259

IUPAC1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea
SMILESCc1ccccc1C(NC(=O)NCC(C)(C)CCO)C(C)C
InChIInChI=1S/C18H30N2O2/c1-13(2)16(15-9-7-6-8-14(15)3)20-17(22)19-12-18(4,5)10-11-21/h6-9,13,16,21H,10-12H2,1-5H3,(H2,19,20,22)
InChIKeyZQNAJHYRBDRYQN-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.40
Rot. Bonds7

About 1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea

1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea (PubChem CID 111506259) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea
PubChem CID111506259
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea
SMILESCc1ccccc1C(NC(=O)NCC(C)(C)CCO)C(C)C
InChIInChI=1S/C18H30N2O2/c1-13(2)16(15-9-7-6-8-14(15)3)20-17(22)19-12-18(4,5)10-11-21/h6-9,13,16,21H,10-12H2,1-5H3,(H2,19,20,22)
InChIKeyZQNAJHYRBDRYQN-UHFFFAOYSA-N
XLogP3.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea
CID 111118152
1-[1-(2,3-dimethylphenyl)ethyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111506389
1-[1-(2-fluorophenyl)propan-2-yl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111505160
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 111505101
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea
CID 111505667
1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836525
1-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836526
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-[(1R)-2-methyl-1-(2-methylphenyl)propyl]urea
CID 95341993
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504976
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 111504246
methyl (2R)-2-hydroxy-2-methyl-3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]propanoate
CID 124890314
1-(4-hydroxy-2,2-dimethylbutyl)-3-(2-propan-2-yloxyphenyl)urea
CID 111473765

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea (CID 111506259) is 1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea is Cc1ccccc1C(NC(=O)NCC(C)(C)CCO)C(C)C.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea?
The InChIKey is ZQNAJHYRBDRYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-13(2)16(15-9-7-6-8-14(15)3)20-17(22)19-12-18(4,5)10-11-21/h6-9,13,16,21H,10-12H2,1-5H3,(H2,19,20,22).
What are the key properties of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea?
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea has a molecular weight of 306.45 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea is sourced from PubChem (CID 111506259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).