1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea

C21H28N2O4 — CID 113213798

IUPAC1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NCC(C)(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H28N2O4/c1-6-27-17-10-8-7-9-16(17)23-20(24)22-14-21(2,3)15-11-12-18(25-4)19(13-15)26-5/h7-13H,6,14H2,1-5H3,(H2,22,23,24)
InChIKeyGKSUXRUOCVBNGJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.20
Rot. Bonds8

About 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea

1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea (PubChem CID 113213798) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea
PubChem CID113213798
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NCC(C)(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H28N2O4/c1-6-27-17-10-8-7-9-16(17)23-20(24)22-14-21(2,3)15-11-12-18(25-4)19(13-15)26-5/h7-13H,6,14H2,1-5H3,(H2,22,23,24)
InChIKeyGKSUXRUOCVBNGJ-UHFFFAOYSA-N
XLogP4.20
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyanophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213830
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213805
1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120450
1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213810
methyl 4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]carbamoylamino]benzoate
CID 113213815
1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 100747631
4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide
CID 39700417
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea
CID 94813267
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591873
1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
CID 95984563
3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 120610551

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea (CID 113213798) is 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)NCC(C)(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea?
The InChIKey is GKSUXRUOCVBNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-6-27-17-10-8-7-9-16(17)23-20(24)22-14-21(2,3)15-11-12-18(25-4)19(13-15)26-5/h7-13H,6,14H2,1-5H3,(H2,22,23,24).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea?
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea has a molecular weight of 372.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea is sourced from PubChem (CID 113213798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).