1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea

C19H25N3O3 — CID 156825173

IUPAC1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(CCCN(C)O)cc2)cc1
InChIInChI=1S/C19H25N3O3/c1-22(24)13-3-4-15-5-9-17(10-6-15)21-19(23)20-14-16-7-11-18(25-2)12-8-16/h5-12,24H,3-4,13-14H2,1-2H3,(H2,20,21,23)
InChIKeyZDRZCYIQXPZWMS-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.27
Rot. Bonds8

About 1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea

1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 156825173) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID156825173
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(CCCN(C)O)cc2)cc1
InChIInChI=1S/C19H25N3O3/c1-22(24)13-3-4-15-5-9-17(10-6-15)21-19(23)20-14-16-7-11-18(25-2)12-8-16/h5-12,24H,3-4,13-14H2,1-2H3,(H2,20,21,23)
InChIKeyZDRZCYIQXPZWMS-UHFFFAOYSA-N
XLogP3.27
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)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

methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide
CID 166706560
1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 156825217
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 60591596
1-[4-(benzenesulfonyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824686
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868221

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea (CID 156825173) is 1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2ccc(CCCN(C)O)cc2)cc1.
What is the InChIKey of 1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is ZDRZCYIQXPZWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-22(24)13-3-4-15-5-9-17(10-6-15)21-19(23)20-14-16-7-11-18(25-2)12-8-16/h5-12,24H,3-4,13-14H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 343.43 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 156825173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).