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

C19H22N2O4 — CID 2955683

IUPAC1-(4-acetylphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(C(C)NC(=O)Nc2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-12(15-7-10-17(24-3)18(11-15)25-4)20-19(23)21-16-8-5-14(6-9-16)13(2)22/h5-12H,1-4H3,(H2,20,21,23)
InChIKeyGBKJQFLOQNDDAN-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.79
Rot. Bonds6

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

1-(4-acetylphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]urea (PubChem CID 2955683) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
PubChem CID2955683
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name1-(4-acetylphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(C(C)NC(=O)Nc2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-12(15-7-10-17(24-3)18(11-15)25-4)20-19(23)21-16-8-5-14(6-9-16)13(2)22/h5-12H,1-4H3,(H2,20,21,23)
InChIKeyGBKJQFLOQNDDAN-UHFFFAOYSA-N
XLogP3.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ecabapide
CID 65885
1-(2,4-Difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
4-[[(4-Methoxyanilino)-oxomethyl]amino]benzoic acid methyl ester
CID 970268
2-(3,4-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 484122
N-(3-acetylphenyl)-3,4-dimethoxybenzamide
CID 2171051
Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate
CID 3238214
(E)-1-(3,4-dimethoxyphenyl)-3-(3-methoxyanilino)prop-2-en-1-one
CID 1930042
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-phenylurea
CID 3342378
3,4-Dimethoxy-N-[4-(morpholine-4-carbonyl)-phenyl]-benzamide
CID 1134573
2-ethoxyethyl 4-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoate
CID 1553954
Ethyl 4-{[3-(3,4-dimethoxyphenyl)-3-oxo-1-propen-1-yl]amino}benzoate
CID 1927302
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-ethoxyphenyl)urea
CID 2215009

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]urea (CID 2955683) is 1-(4-acetylphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]urea is COc1ccc(C(C)NC(=O)Nc2ccc(C(C)=O)cc2)cc1OC.
What is the InChIKey of 1-(4-acetylphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]urea?
The InChIKey is GBKJQFLOQNDDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12(15-7-10-17(24-3)18(11-15)25-4)20-19(23)21-16-8-5-14(6-9-16)13(2)22/h5-12H,1-4H3,(H2,20,21,23).
What are the key properties of 1-(4-acetylphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]urea?
1-(4-acetylphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]urea has a molecular weight of 342.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[1-(3,4-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 2955683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).