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

C15H22N2O3 — CID 86916160

IUPAC3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)NC1CC1
InChIInChI=1S/C15H22N2O3/c1-4-17(15(18)16-12-6-7-12)10-11-5-8-13(19-2)14(9-11)20-3/h5,8-9,12H,4,6-7,10H2,1-3H3,(H,16,18)
InChIKeyLJVWKNNLDFDTAV-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.40
Rot. Bonds6

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

3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea (PubChem CID 86916160) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea.

Molecular Properties

Compound Name3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea
PubChem CID86916160
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)NC1CC1
InChIInChI=1S/C15H22N2O3/c1-4-17(15(18)16-12-6-7-12)10-11-5-8-13(19-2)14(9-11)20-3/h5,8-9,12H,4,6-7,10H2,1-3H3,(H,16,18)
InChIKeyLJVWKNNLDFDTAV-UHFFFAOYSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea
CID 87013249
1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 178070560
N-cyclopropyl-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 31691063
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
cis-(1S,3R)-3-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 124683673
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide
CID 78808324
N-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 8909798
3-cyclooctyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(dimethylamino)ethyl]thiourea
CID 17065643
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide
CID 26350594
3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 38162216
2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide
CID 86906891

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea?
The IUPAC name of 3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea (CID 86916160) is 3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea.
What is the SMILES notation for 3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea?
The canonical SMILES for 3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea is CCN(Cc1ccc(OC)c(OC)c1)C(=O)NC1CC1.
What is the InChIKey of 3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea?
The InChIKey is LJVWKNNLDFDTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-17(15(18)16-12-6-7-12)10-11-5-8-13(19-2)14(9-11)20-3/h5,8-9,12H,4,6-7,10H2,1-3H3,(H,16,18).
What are the key properties of 3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea?
3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea has a molecular weight of 278.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea is sourced from PubChem (CID 86916160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).