1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea

C15H24N2O4 — CID 108891611

IUPAC1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
SMILESCCOc1ccc(CCNC(=O)NCC(C)O)cc1OC
InChIInChI=1S/C15H24N2O4/c1-4-21-13-6-5-12(9-14(13)20-3)7-8-16-15(19)17-10-11(2)18/h5-6,9,11,18H,4,7-8,10H2,1-3H3,(H2,16,17,19)
InChIKeyFRGDRFDPUAOIHU-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.32
Rot. Bonds8

About 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea

1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea (PubChem CID 108891611) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
PubChem CID108891611
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
SMILESCCOc1ccc(CCNC(=O)NCC(C)O)cc1OC
InChIInChI=1S/C15H24N2O4/c1-4-21-13-6-5-12(9-14(13)20-3)7-8-16-15(19)17-10-11(2)18/h5-6,9,11,18H,4,7-8,10H2,1-3H3,(H2,16,17,19)
InChIKeyFRGDRFDPUAOIHU-UHFFFAOYSA-N
XLogP1.32
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891349
methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108891767
1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877150
6-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]hexanoic acid
CID 108891543
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
CID 108893630
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol
CID 94920372
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 3705348
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea?
The IUPAC name of 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea (CID 108891611) is 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea?
The canonical SMILES for 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea is CCOc1ccc(CCNC(=O)NCC(C)O)cc1OC.
What is the InChIKey of 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea?
The InChIKey is FRGDRFDPUAOIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-21-13-6-5-12(9-14(13)20-3)7-8-16-15(19)17-10-11(2)18/h5-6,9,11,18H,4,7-8,10H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea?
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea has a molecular weight of 296.37 g/mol, XLogP of 1.32, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea is sourced from PubChem (CID 108891611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).