1-(4-methoxyphenyl)-3-(3-methylbutyl)urea

C13H20N2O2 — CID 18884814

IUPAC1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
SMILESCOc1ccc(NC(=O)NCCC(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-10(2)8-9-14-13(16)15-11-4-6-12(17-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,14,15,16)
InChIKeyXMHXSWRXNDVZQJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.86
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(3-methylbutyl)urea

1-(4-methoxyphenyl)-3-(3-methylbutyl)urea (PubChem CID 18884814) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
PubChem CID18884814
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
SMILESCOc1ccc(NC(=O)NCCC(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-10(2)8-9-14-13(16)15-11-4-6-12(17-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,14,15,16)
InChIKeyXMHXSWRXNDVZQJ-UHFFFAOYSA-N
XLogP2.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea
CID 55629361
1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139937
1-(3,3-dimethylbutyl)-3-(4-methoxyphenyl)urea
CID 21361439
1-[4-(aminomethyl)phenyl]-3-(3-methylbutyl)urea
CID 43132978
1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea
CID 110307723
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
1-(3-chloro-4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 47195717
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 108990560
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(5-hydroxy-3-phenylpentyl)-3-(4-methoxyphenyl)urea
CID 121112426
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
1-(6-hydroxyhexyl)-3-(4-methoxyphenyl)urea
CID 103918690

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(3-methylbutyl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(3-methylbutyl)urea (CID 18884814) is 1-(4-methoxyphenyl)-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(3-methylbutyl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(3-methylbutyl)urea is COc1ccc(NC(=O)NCCC(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(3-methylbutyl)urea?
The InChIKey is XMHXSWRXNDVZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)8-9-14-13(16)15-11-4-6-12(17-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(4-methoxyphenyl)-3-(3-methylbutyl)urea?
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea has a molecular weight of 236.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(3-methylbutyl)urea is sourced from PubChem (CID 18884814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).