1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea

C16H26N2O2 — CID 60546005

IUPAC1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea
SMILESCOc1ccc(NC(=O)NC(C)CCC(C)C)cc1C
InChIInChI=1S/C16H26N2O2/c1-11(2)6-7-13(4)17-16(19)18-14-8-9-15(20-5)12(3)10-14/h8-11,13H,6-7H2,1-5H3,(H2,17,18,19)
InChIKeyDEAIRZAFJMCHQJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.95
Rot. Bonds6

About 1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea

1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea (PubChem CID 60546005) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea
PubChem CID60546005
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea
SMILESCOc1ccc(NC(=O)NC(C)CCC(C)C)cc1C
InChIInChI=1S/C16H26N2O2/c1-11(2)6-7-13(4)17-16(19)18-14-8-9-15(20-5)12(3)10-14/h8-11,13H,6-7H2,1-5H3,(H2,17,18,19)
InChIKeyDEAIRZAFJMCHQJ-UHFFFAOYSA-N
XLogP3.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-(5-methylhexan-2-yl)urea
CID 112825815
1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
CID 71991952
3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62669032
1-(3,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890307
2-methoxy-N-(4-methoxy-3-methylphenyl)propanamide
CID 47317942
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 86856166
2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid
CID 107839048
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea
CID 110774460
1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea
CID 111443385
1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774552
1-(3-aminophenyl)-3-(5-methylhexan-2-yl)urea
CID 63926516

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea (CID 60546005) is 1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea is COc1ccc(NC(=O)NC(C)CCC(C)C)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea?
The InChIKey is DEAIRZAFJMCHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)6-7-13(4)17-16(19)18-14-8-9-15(20-5)12(3)10-14/h8-11,13H,6-7H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea?
1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea has a molecular weight of 278.40 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea is sourced from PubChem (CID 60546005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).