1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea

C23H26N2O3 — CID 71782105

IUPAC1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea
SMILESCOc1ccc(CC(C)(O)CNC(=O)NCc2cccc3ccccc23)cc1
InChIInChI=1S/C23H26N2O3/c1-23(27,14-17-10-12-20(28-2)13-11-17)16-25-22(26)24-15-19-8-5-7-18-6-3-4-9-21(18)19/h3-13,27H,14-16H2,1-2H3,(H2,24,25,26)
InChIKeyBTBVRLXNNPLHON-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.64
Rot. Bonds7

About 1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea

1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea (PubChem CID 71782105) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea
PubChem CID71782105
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea
SMILESCOc1ccc(CC(C)(O)CNC(=O)NCc2cccc3ccccc23)cc1
InChIInChI=1S/C23H26N2O3/c1-23(27,14-17-10-12-20(28-2)13-11-17)16-25-22(26)24-15-19-8-5-7-18-6-3-4-9-21(18)19/h3-13,27H,14-16H2,1-2H3,(H2,24,25,26)
InChIKeyBTBVRLXNNPLHON-UHFFFAOYSA-N
XLogP3.64
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)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

1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 121112095
1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 121112092
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982952
2-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782018
2-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982951
2-(4-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782036
2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 95982933
2-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498248
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 26060329
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 111450577

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea (CID 71782105) is 1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea is COc1ccc(CC(C)(O)CNC(=O)NCc2cccc3ccccc23)cc1.
What is the InChIKey of 1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea?
The InChIKey is BTBVRLXNNPLHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-23(27,14-17-10-12-20(28-2)13-11-17)16-25-22(26)24-15-19-8-5-7-18-6-3-4-9-21(18)19/h3-13,27H,14-16H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea?
1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 378.47 g/mol, XLogP of 3.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 71782105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).