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

C18H30N2O2 — CID 111504028

IUPAC1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(4-methylphenyl)propyl]urea
SMILESCCC(NC(=O)NCC(C)(C)CC(C)O)c1ccc(C)cc1
InChIInChI=1S/C18H30N2O2/c1-6-16(15-9-7-13(2)8-10-15)20-17(22)19-12-18(4,5)11-14(3)21/h7-10,14,16,21H,6,11-12H2,1-5H3,(H2,19,20,22)
InChIKeyLPTFYSJSFAGOEL-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.54
Rot. Bonds7

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

1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(4-methylphenyl)propyl]urea (PubChem CID 111504028) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(4-methylphenyl)propyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(4-methylphenyl)propyl]urea
PubChem CID111504028
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(4-methylphenyl)propyl]urea
SMILESCCC(NC(=O)NCC(C)(C)CC(C)O)c1ccc(C)cc1
InChIInChI=1S/C18H30N2O2/c1-6-16(15-9-7-13(2)8-10-15)20-17(22)19-12-18(4,5)11-14(3)21/h7-10,14,16,21H,6,11-12H2,1-5H3,(H2,19,20,22)
InChIKeyLPTFYSJSFAGOEL-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566439
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea
CID 111504031
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
1-(2-bromo-4-methylphenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473086
2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 78912710
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 841933
2-amino-N-[1-(4-methylphenyl)propyl]propanamide
CID 43707472
N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 111490720
N-[1-(4-methylphenyl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604429
3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide
CID 87000051
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 111478749

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(4-methylphenyl)propyl]urea?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(4-methylphenyl)propyl]urea (CID 111504028) is 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(4-methylphenyl)propyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(4-methylphenyl)propyl]urea?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(4-methylphenyl)propyl]urea is CCC(NC(=O)NCC(C)(C)CC(C)O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(4-methylphenyl)propyl]urea?
The InChIKey is LPTFYSJSFAGOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-6-16(15-9-7-13(2)8-10-15)20-17(22)19-12-18(4,5)11-14(3)21/h7-10,14,16,21H,6,11-12H2,1-5H3,(H2,19,20,22).
What are the key properties of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(4-methylphenyl)propyl]urea?
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(4-methylphenyl)propyl]urea has a molecular weight of 306.45 g/mol, XLogP of 3.54, 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-dimethylpentyl)-3-[1-(4-methylphenyl)propyl]urea is sourced from PubChem (CID 111504028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).