1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea

C14H22N2O4 — CID 108891349

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
SMILESCOc1ccc(CCNC(=O)NCC(C)O)cc1OC
InChIInChI=1S/C14H22N2O4/c1-10(17)9-16-14(18)15-7-6-11-4-5-12(19-2)13(8-11)20-3/h4-5,8,10,17H,6-7,9H2,1-3H3,(H2,15,16,18)
InChIKeyKQHXFJXCGDAMBJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.93
Rot. Bonds7

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea (PubChem CID 108891349) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
PubChem CID108891349
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
SMILESCOc1ccc(CCNC(=O)NCC(C)O)cc1OC
InChIInChI=1S/C14H22N2O4/c1-10(17)9-16-14(18)15-7-6-11-4-5-12(19-2)13(8-11)20-3/h4-5,8,10,17H,6-7,9H2,1-3H3,(H2,15,16,18)
InChIKeyKQHXFJXCGDAMBJ-UHFFFAOYSA-N
XLogP0.93
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891611
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
1-[2-(4-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891454
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
CID 3102524
methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate
CID 55473296
1-[2-(3-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891452
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea
CID 108868367
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42924612

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea (CID 108891349) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea is COc1ccc(CCNC(=O)NCC(C)O)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea?
The InChIKey is KQHXFJXCGDAMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10(17)9-16-14(18)15-7-6-11-4-5-12(19-2)13(8-11)20-3/h4-5,8,10,17H,6-7,9H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea has a molecular weight of 282.34 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea is sourced from PubChem (CID 108891349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).