1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea

C12H18N2O3 — CID 47277960

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1ccc(OC)cc1OC
InChIInChI=1S/C12H18N2O3/c1-4-13-12(15)14-8-9-5-6-10(16-2)7-11(9)17-3/h5-7H,4,8H2,1-3H3,(H2,13,14,15)
InChIKeyCZVORFFAPGKFDO-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.52
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea

1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea (PubChem CID 47277960) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
PubChem CID47277960
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1ccc(OC)cc1OC
InChIInChI=1S/C12H18N2O3/c1-4-13-12(15)14-8-9-5-6-10(16-2)7-11(9)17-3/h5-7H,4,8H2,1-3H3,(H2,13,14,15)
InChIKeyCZVORFFAPGKFDO-UHFFFAOYSA-N
XLogP1.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 47277958
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60543673
(2,4-dimethoxyphenyl)methylurea
CID 53362457
3-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66164937
4-[(2,4-dimethoxyphenyl)methylcarbamoylamino]butanoic acid
CID 63362848
1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea
CID 58817803
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 110774913
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
(2R)-2-bromo-N-[(2,4-dimethoxyphenyl)methyl]butanamide
CID 92864173
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea (CID 47277960) is 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea is CCNC(=O)NCc1ccc(OC)cc1OC.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea?
The InChIKey is CZVORFFAPGKFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-13-12(15)14-8-9-5-6-10(16-2)7-11(9)17-3/h5-7H,4,8H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea?
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea has a molecular weight of 238.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea is sourced from PubChem (CID 47277960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).