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

C18H20N2O3 — CID 10086865

IUPAC1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea
SMILESCOc1cc(CNC(=O)NC2CC2c2ccccc2)ccc1O
InChIInChI=1S/C18H20N2O3/c1-23-17-9-12(7-8-16(17)21)11-19-18(22)20-15-10-14(15)13-5-3-2-4-6-13/h2-9,14-15,21H,10-11H2,1H3,(H2,19,20,22)
InChIKeyMDDODKUGONUQDF-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.76
Rot. Bonds5

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

1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea (PubChem CID 10086865) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea
PubChem CID10086865
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea
SMILESCOc1cc(CNC(=O)NC2CC2c2ccccc2)ccc1O
InChIInChI=1S/C18H20N2O3/c1-23-17-9-12(7-8-16(17)21)11-19-18(22)20-15-10-14(15)13-5-3-2-4-6-13/h2-9,14-15,21H,10-11H2,1H3,(H2,19,20,22)
InChIKeyMDDODKUGONUQDF-UHFFFAOYSA-N
XLogP2.76
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea
CID 46887832
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111203097
1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea
CID 168955772
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046099
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 55638373
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)urea
CID 47048314
1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 168955827
2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 55105274
1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
CID 86843833
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 2862508
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540
1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
CID 47764322

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea?
The IUPAC name of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea (CID 10086865) is 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea.
What is the SMILES notation for 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea?
The canonical SMILES for 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea is COc1cc(CNC(=O)NC2CC2c2ccccc2)ccc1O.
What is the InChIKey of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea?
The InChIKey is MDDODKUGONUQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-23-17-9-12(7-8-16(17)21)11-19-18(22)20-15-10-14(15)13-5-3-2-4-6-13/h2-9,14-15,21H,10-11H2,1H3,(H2,19,20,22).
What are the key properties of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea?
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea has a molecular weight of 312.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea is sourced from PubChem (CID 10086865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).