1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea

C16H26N2O3 — CID 109379511

IUPAC1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCC(C)(C)C(O)C(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-11(2)14(19)16(3,4)10-17-15(20)18-12-6-8-13(21-5)9-7-12/h6-9,11,14,19H,10H2,1-5H3,(H2,17,18,20)
InChIKeyUJIFGUWHHOMHBU-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.86
Rot. Bonds6

About 1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea

1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea (PubChem CID 109379511) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea
PubChem CID109379511
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCC(C)(C)C(O)C(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-11(2)14(19)16(3,4)10-17-15(20)18-12-6-8-13(21-5)9-7-12/h6-9,11,14,19H,10H2,1-5H3,(H2,17,18,20)
InChIKeyUJIFGUWHHOMHBU-UHFFFAOYSA-N
XLogP2.86
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109388786
1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213639
1-(3,3-dimethylbutyl)-3-(4-methoxyphenyl)urea
CID 21361439
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213625
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide
CID 109380534
1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109388620
N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide
CID 109389475
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 108990560

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea (CID 109379511) is 1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NCC(C)(C)C(O)C(C)C)cc1.
What is the InChIKey of 1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea?
The InChIKey is UJIFGUWHHOMHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)14(19)16(3,4)10-17-15(20)18-12-6-8-13(21-5)9-7-12/h6-9,11,14,19H,10H2,1-5H3,(H2,17,18,20).
What are the key properties of 1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea?
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea has a molecular weight of 294.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 109379511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).