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

C20H26N2O3 — CID 42924612

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC(C)c2ccccc2C)cc1OC
InChIInChI=1S/C20H26N2O3/c1-14-7-5-6-8-17(14)15(2)22-20(23)21-12-11-16-9-10-18(24-3)19(13-16)25-4/h5-10,13,15H,11-12H2,1-4H3,(H2,21,22,23)
InChIKeyNEJLONLOLZAKRP-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.62
Rot. Bonds7

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

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea (PubChem CID 42924612) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
PubChem CID42924612
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC(C)c2ccccc2C)cc1OC
InChIInChI=1S/C20H26N2O3/c1-14-7-5-6-8-17(14)15(2)22-20(23)21-12-11-16-9-10-18(24-3)19(13-16)25-4/h5-10,13,15H,11-12H2,1-4H3,(H2,21,22,23)
InChIKeyNEJLONLOLZAKRP-UHFFFAOYSA-N
XLogP3.62
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43823384
1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 41327613
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891349
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2-methylphenoxy)ethyl]urea
CID 60544165
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-3-phenylpropanoic acid
CID 4679001
1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea
CID 38152013
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
1-[3-(3,4-dimethoxyphenyl)propyl]-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
CID 47080011
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 25489004
2-(benzylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 55543538
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
CID 19675268
1-[2-(4-bromophenyl)ethyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
CID 108902279

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea (CID 42924612) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea is COc1ccc(CCNC(=O)NC(C)c2ccccc2C)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea?
The InChIKey is NEJLONLOLZAKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-7-5-6-8-17(14)15(2)22-20(23)21-12-11-16-9-10-18(24-3)19(13-16)25-4/h5-10,13,15H,11-12H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 42924612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).