1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea

C19H22N2O4 — CID 60577311

IUPAC1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
SMILESCOc1cc(CN(C(=O)Nc2ccccc2OC)C2CC2)ccc1O
InChIInChI=1S/C19H22N2O4/c1-24-17-6-4-3-5-15(17)20-19(23)21(14-8-9-14)12-13-7-10-16(22)18(11-13)25-2/h3-7,10-11,14,22H,8-9,12H2,1-2H3,(H,20,23)
InChIKeyKSPMAWRHSLQWAJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.61
Rot. Bonds6

About 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea

1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea (PubChem CID 60577311) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
PubChem CID60577311
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
SMILESCOc1cc(CN(C(=O)Nc2ccccc2OC)C2CC2)ccc1O
InChIInChI=1S/C19H22N2O4/c1-24-17-6-4-3-5-15(17)20-19(23)21(14-8-9-14)12-13-7-10-16(22)18(11-13)25-2/h3-7,10-11,14,22H,8-9,12H2,1-2H3,(H,20,23)
InChIKeyKSPMAWRHSLQWAJ-UHFFFAOYSA-N
XLogP3.61
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 60620419
1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 51092725
3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 60620097
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea
CID 60576885
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56576651
1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea
CID 86842488
1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea
CID 20908163
methyl 2-[[cyclopropyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196523
N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide
CID 75435107
N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75393426
3-[[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]benzoic acid
CID 122033092
4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol
CID 133497336

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea (CID 60577311) is 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea is COc1cc(CN(C(=O)Nc2ccccc2OC)C2CC2)ccc1O.
What is the InChIKey of 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea?
The InChIKey is KSPMAWRHSLQWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-17-6-4-3-5-15(17)20-19(23)21(14-8-9-14)12-13-7-10-16(22)18(11-13)25-2/h3-7,10-11,14,22H,8-9,12H2,1-2H3,(H,20,23).
What are the key properties of 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea?
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea has a molecular weight of 342.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 60577311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).