1-[(2-methoxyphenyl)methyl]-3-propylurea

C12H18N2O2 — CID 94828368

IUPAC1-[(2-methoxyphenyl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1ccccc1OC
InChIInChI=1S/C12H18N2O2/c1-3-8-13-12(15)14-9-10-6-4-5-7-11(10)16-2/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15)
InChIKeyKKPDWUCRQLAUJP-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.90
Rot. Bonds5

About 1-[(2-methoxyphenyl)methyl]-3-propylurea

1-[(2-methoxyphenyl)methyl]-3-propylurea (PubChem CID 94828368) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-propylurea
PubChem CID94828368
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1ccccc1OC
InChIInChI=1S/C12H18N2O2/c1-3-8-13-12(15)14-9-10-6-4-5-7-11(10)16-2/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15)
InChIKeyKKPDWUCRQLAUJP-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-hexyl-3-[(2-methoxyphenyl)methyl]urea
CID 30694177
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108897450
1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 112972032
1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea
CID 111115085
1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108883586
1-[(2-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974424
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 62669746
N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide
CID 44902500
1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972214
1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea
CID 111119483

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-propylurea?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-propylurea (CID 94828368) is 1-[(2-methoxyphenyl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-propylurea?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-propylurea is CCCNC(=O)NCc1ccccc1OC.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-propylurea?
The InChIKey is KKPDWUCRQLAUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-8-13-12(15)14-9-10-6-4-5-7-11(10)16-2/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-propylurea?
1-[(2-methoxyphenyl)methyl]-3-propylurea has a molecular weight of 222.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-propylurea is sourced from PubChem (CID 94828368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).