N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide

C17H19NO3 — CID 115577590

IUPACN-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(O)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-21-16-9-4-13(5-10-16)6-11-17(20)18-12-14-2-7-15(19)8-3-14/h2-5,7-10,19H,6,11-12H2,1H3,(H,18,20)
InChIKeyITAVJOAWXSETPY-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.65
Rot. Bonds6

About N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide

N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 115577590) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID115577590
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(O)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-21-16-9-4-13(5-10-16)6-11-17(20)18-12-14-2-7-15(19)8-3-14/h2-5,7-10,19H,6,11-12H2,1H3,(H,18,20)
InChIKeyITAVJOAWXSETPY-UHFFFAOYSA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784513
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110902384
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 121137428
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 71715351

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide (CID 115577590) is N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCc2ccc(O)cc2)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is ITAVJOAWXSETPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-21-16-9-4-13(5-10-16)6-11-17(20)18-12-14-2-7-15(19)8-3-14/h2-5,7-10,19H,6,11-12H2,1H3,(H,18,20).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide?
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 285.34 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 115577590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).