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

C15H24N2O4 — CID 108893630

IUPAC1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
SMILESCCOc1ccc(CCNC(=O)NCOC)cc1OCC
InChIInChI=1S/C15H24N2O4/c1-4-20-13-7-6-12(10-14(13)21-5-2)8-9-16-15(18)17-11-19-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H2,16,17,18)
InChIKeyRLERTKBVRLOYNB-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.93
Rot. Bonds9

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

1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea (PubChem CID 108893630) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea.

Molecular Properties

Compound Name1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
PubChem CID108893630
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
SMILESCCOc1ccc(CCNC(=O)NCOC)cc1OCC
InChIInChI=1S/C15H24N2O4/c1-4-20-13-7-6-12(10-14(13)21-5-2)8-9-16-15(18)17-11-19-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H2,16,17,18)
InChIKeyRLERTKBVRLOYNB-UHFFFAOYSA-N
XLogP1.93
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877150
1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2,3-dimethylphenoxy)methyl]urea
CID 108878449
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108878076
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565
methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108891767
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983522
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide
CID 78778646

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea?
The IUPAC name of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea (CID 108893630) is 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea.
What is the SMILES notation for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea?
The canonical SMILES for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea is CCOc1ccc(CCNC(=O)NCOC)cc1OCC.
What is the InChIKey of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea?
The InChIKey is RLERTKBVRLOYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-20-13-7-6-12(10-14(13)21-5-2)8-9-16-15(18)17-11-19-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea?
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea has a molecular weight of 296.37 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea is sourced from PubChem (CID 108893630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).