3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea

C15H22N2O4 — CID 113095862

IUPAC3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
SMILESCOc1cc(CN(C)C(=O)NC2CC2)cc(OC)c1OC
InChIInChI=1S/C15H22N2O4/c1-17(15(18)16-11-5-6-11)9-10-7-12(19-2)14(21-4)13(8-10)20-3/h7-8,11H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyKRMZRIKHHJRZTJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.02
Rot. Bonds6

About 3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea

3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea (PubChem CID 113095862) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
PubChem CID113095862
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
SMILESCOc1cc(CN(C)C(=O)NC2CC2)cc(OC)c1OC
InChIInChI=1S/C15H22N2O4/c1-17(15(18)16-11-5-6-11)9-10-7-12(19-2)14(21-4)13(8-10)20-3/h7-8,11H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyKRMZRIKHHJRZTJ-UHFFFAOYSA-N
XLogP2.02
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclohexyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 113095856
1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 115169295
1-[(4-aminophenyl)methyl]-3-cyclopropyl-1-methylurea
CID 62699468
1-[(3-hydroxy-4-methoxyphenyl)methyl]-1-methyl-3-(oxepan-4-yl)urea
CID 146087686
[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2365804
4-[[(5-bromo-2-methoxyphenyl)methyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024270
3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea
CID 86916160
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 178070560
N-cyclopentyl-2-[[cyclopentyl-[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl]amino]acetamide
CID 12004841
3-(1-tert-butylpyrrolidin-3-yl)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea
CID 131945280
N-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431699

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea?
The IUPAC name of 3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea (CID 113095862) is 3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea.
What is the SMILES notation for 3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea?
The canonical SMILES for 3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea is COc1cc(CN(C)C(=O)NC2CC2)cc(OC)c1OC.
What is the InChIKey of 3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea?
The InChIKey is KRMZRIKHHJRZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-17(15(18)16-11-5-6-11)9-10-7-12(19-2)14(21-4)13(8-10)20-3/h7-8,11H,5-6,9H2,1-4H3,(H,16,18).
What are the key properties of 3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea?
3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea has a molecular weight of 294.35 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea is sourced from PubChem (CID 113095862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).