1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea

C19H24N2O4 — CID 60544439

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NCCc2ccc(OC)c(OC)c2)cc1C
InChIInChI=1S/C19H24N2O4/c1-13-11-15(6-8-16(13)23-2)21-19(22)20-10-9-14-5-7-17(24-3)18(12-14)25-4/h5-8,11-12H,9-10H2,1-4H3,(H2,20,21,22)
InChIKeyWRVYMLFAHMAOJF-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.39
Rot. Bonds7

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea (PubChem CID 60544439) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
PubChem CID60544439
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NCCc2ccc(OC)c(OC)c2)cc1C
InChIInChI=1S/C19H24N2O4/c1-13-11-15(6-8-16(13)23-2)21-19(22)20-10-9-14-5-7-17(24-3)18(12-14)25-4/h5-8,11-12H,9-10H2,1-4H3,(H2,20,21,22)
InChIKeyWRVYMLFAHMAOJF-UHFFFAOYSA-N
XLogP3.39
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methylphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108989692
4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoic acid
CID 108891296
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885476
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 32523814
1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217284
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
CID 4993331
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea
CID 121239700
1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290602
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide
CID 32521036

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea (CID 60544439) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea is COc1ccc(NC(=O)NCCc2ccc(OC)c(OC)c2)cc1C.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea?
The InChIKey is WRVYMLFAHMAOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-11-15(6-8-16(13)23-2)21-19(22)20-10-9-14-5-7-17(24-3)18(12-14)25-4/h5-8,11-12H,9-10H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea has a molecular weight of 344.41 g/mol, XLogP of 3.39, 7 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)ethyl]-3-(4-methoxy-3-methylphenyl)urea is sourced from PubChem (CID 60544439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).