1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea

C19H24N2O2 — CID 48630580

IUPAC1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCCc2ccc(C)cc2C)c1
InChIInChI=1S/C19H24N2O2/c1-14-7-8-17(15(2)11-14)9-10-20-19(22)21-13-16-5-4-6-18(12-16)23-3/h4-8,11-12H,9-10,13H2,1-3H3,(H2,20,21,22)
InChIKeyDIMBYNDRIHVBOS-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.35
Rot. Bonds6

About 1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea

1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 48630580) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
PubChem CID48630580
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCCc2ccc(C)cc2C)c1
InChIInChI=1S/C19H24N2O2/c1-14-7-8-17(15(2)11-14)9-10-20-19(22)21-13-16-5-4-6-18(12-16)23-3/h4-8,11-12H,9-10,13H2,1-3H3,(H2,20,21,22)
InChIKeyDIMBYNDRIHVBOS-UHFFFAOYSA-N
XLogP3.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60591409
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-phenylethyl)urea
CID 3381220
1-[2-(3-hydroxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60602886
1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
1-(3,3-dimethylbutyl)-3-[(3-methoxyphenyl)methyl]urea
CID 38270007
1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108867745
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 86925143
1-[2-(2,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775694
1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 38234356

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea (CID 48630580) is 1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)NCCc2ccc(C)cc2C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is DIMBYNDRIHVBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-7-8-17(15(2)11-14)9-10-20-19(22)21-13-16-5-4-6-18(12-16)23-3/h4-8,11-12H,9-10,13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea?
1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 312.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 48630580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).