1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea

C19H24N2O3 — CID 16573334

IUPAC1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccc(CCNC(=O)N(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C19H24N2O3/c1-21(14-16-7-5-4-6-8-16)19(22)20-12-11-15-9-10-17(23-2)18(13-15)24-3/h4-10,13H,11-12,14H2,1-3H3,(H,20,22)
InChIKeyNMBGRZBJFQZMFD-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.09
Rot. Bonds7

About 1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea

1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea (PubChem CID 16573334) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
PubChem CID16573334
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccc(CCNC(=O)N(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C19H24N2O3/c1-21(14-16-7-5-4-6-8-16)19(22)20-12-11-15-9-10-17(23-2)18(13-15)24-3/h4-10,13H,11-12,14H2,1-3H3,(H,20,22)
InChIKeyNMBGRZBJFQZMFD-UHFFFAOYSA-N
XLogP3.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide
CID 108997410
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea
CID 108891376
(2R)-2-[benzyl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 32727323
2-[acetyl(benzyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 133148863
N'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide
CID 108503366
1-[2-[benzyl(methyl)amino]ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylguanidine
CID 111214849
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 133236497
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea
CID 108891657
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea?
The IUPAC name of 1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea (CID 16573334) is 1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea is COc1ccc(CCNC(=O)N(C)Cc2ccccc2)cc1OC.
What is the InChIKey of 1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea?
The InChIKey is NMBGRZBJFQZMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-21(14-16-7-5-4-6-8-16)19(22)20-12-11-15-9-10-17(23-2)18(13-15)24-3/h4-10,13H,11-12,14H2,1-3H3,(H,20,22).
What are the key properties of 1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea?
1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea has a molecular weight of 328.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 16573334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).