1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea

C22H28N2O3 — CID 108905537

IUPAC1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
SMILESCCOc1ccc(CCNC(=O)N/C=C/c2cccc(C)c2)cc1OCC
InChIInChI=1S/C22H28N2O3/c1-4-26-20-10-9-19(16-21(20)27-5-2)12-14-24-22(25)23-13-11-18-8-6-7-17(3)15-18/h6-11,13,15-16H,4-5,12,14H2,1-3H3,(H2,23,24,25)/b13-11+
InChIKeyMPYQBBVGLFXVKN-ACCUITESSA-N
MW368.48 g/mol
LogP4.31
Rot. Bonds9

About 1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea

1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea (PubChem CID 108905537) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
PubChem CID108905537
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
SMILESCCOc1ccc(CCNC(=O)N/C=C/c2cccc(C)c2)cc1OCC
InChIInChI=1S/C22H28N2O3/c1-4-26-20-10-9-19(16-21(20)27-5-2)12-14-24-22(25)23-13-11-18-8-6-7-17(3)15-18/h6-11,13,15-16H,4-5,12,14H2,1-3H3,(H2,23,24,25)/b13-11+
InChIKeyMPYQBBVGLFXVKN-ACCUITESSA-N
XLogP4.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 8781311
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 3705348
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
CID 108893630
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 26851284
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methylphenyl)thiourea
CID 8659242
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 20851373
1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2,3-dimethylphenoxy)methyl]urea
CID 108878449
N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 70789735
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The IUPAC name of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea (CID 108905537) is 1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea.
What is the SMILES notation for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The canonical SMILES for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea is CCOc1ccc(CCNC(=O)N/C=C/c2cccc(C)c2)cc1OCC.
What is the InChIKey of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The InChIKey is MPYQBBVGLFXVKN-ACCUITESSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-26-20-10-9-19(16-21(20)27-5-2)12-14-24-22(25)23-13-11-18-8-6-7-17(3)15-18/h6-11,13,15-16H,4-5,12,14H2,1-3H3,(H2,23,24,25)/b13-11+.
What are the key properties of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea has a molecular weight of 368.48 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea is sourced from PubChem (CID 108905537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).