1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea

C19H24N2O4 — CID 108871526

IUPAC1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea
SMILESCCOc1ccc(CCNC(=O)Nc2ccccc2O)cc1OCC
InChIInChI=1S/C19H24N2O4/c1-3-24-17-10-9-14(13-18(17)25-4-2)11-12-20-19(23)21-15-7-5-6-8-16(15)22/h5-10,13,22H,3-4,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyZOLPFQSDAIHFGY-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.55
Rot. Bonds8

About 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea

1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea (PubChem CID 108871526) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea
PubChem CID108871526
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea
SMILESCCOc1ccc(CCNC(=O)Nc2ccccc2O)cc1OCC
InChIInChI=1S/C19H24N2O4/c1-3-24-17-10-9-14(13-18(17)25-4-2)11-12-20-19(23)21-15-7-5-6-8-16(15)22/h5-10,13,22H,3-4,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyZOLPFQSDAIHFGY-UHFFFAOYSA-N
XLogP3.55
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108868804
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 108891607
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea
CID 1273904
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 100747631
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
CID 108893630
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248
2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 43244618
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide
CID 1312332
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea?
The IUPAC name of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea (CID 108871526) is 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea.
What is the SMILES notation for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea?
The canonical SMILES for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea is CCOc1ccc(CCNC(=O)Nc2ccccc2O)cc1OCC.
What is the InChIKey of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea?
The InChIKey is ZOLPFQSDAIHFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-24-17-10-9-14(13-18(17)25-4-2)11-12-20-19(23)21-15-7-5-6-8-16(15)22/h5-10,13,22H,3-4,11-12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea?
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea has a molecular weight of 344.41 g/mol, XLogP of 3.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea is sourced from PubChem (CID 108871526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).