N-[(4-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide

C17H19NO3 — CID 71423606

IUPACN-[(4-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide
SMILESCON(Cc1ccc(O)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C17H19NO3/c1-21-18(13-15-7-10-16(19)11-8-15)17(20)12-9-14-5-3-2-4-6-14/h2-8,10-11,19H,9,12-13H2,1H3
InChIKeySUQDMRRJAVHPSI-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.91
Rot. Bonds6

About N-[(4-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide

N-[(4-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide (PubChem CID 71423606) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide
PubChem CID71423606
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[(4-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide
SMILESCON(Cc1ccc(O)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C17H19NO3/c1-21-18(13-15-7-10-16(19)11-8-15)17(20)12-9-14-5-3-2-4-6-14/h2-8,10-11,19H,9,12-13H2,1H3
InChIKeySUQDMRRJAVHPSI-UHFFFAOYSA-N
XLogP2.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-hydroxy-N-methoxybenzamide
CID 135068779
N-chloro-N-methoxy-3-phenylpropanamide
CID 10443211
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-phenyl-N-phenylmethoxypropanamide
CID 22983764
N-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide
CID 46992721
benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid
CID 142890889
N-benzyl-N-methoxyprop-2-enamide
CID 86239438
phenol;4-phenylbutan-2-one
CID 160537429
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
4-[4-[benzyl(methyl)amino]butyl]phenol
CID 82188000
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
4-[2-[benzyl(ethyl)amino]ethyl]phenol
CID 82187934
1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one
CID 71035018

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide (CID 71423606) is N-[(4-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide is CON(Cc1ccc(O)cc1)C(=O)CCc1ccccc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide?
The InChIKey is SUQDMRRJAVHPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-21-18(13-15-7-10-16(19)11-8-15)17(20)12-9-14-5-3-2-4-6-14/h2-8,10-11,19H,9,12-13H2,1H3.
What are the key properties of N-[(4-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide?
N-[(4-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide has a molecular weight of 285.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide is sourced from PubChem (CID 71423606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).