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

C17H16N2O2 — CID 110483851

IUPACN-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
SMILESN#Cc1ccc(CNC(=O)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C17H16N2O2/c18-11-14-1-3-15(4-2-14)12-19-17(21)10-7-13-5-8-16(20)9-6-13/h1-6,8-9,20H,7,10,12H2,(H,19,21)
InChIKeyPLDNCDMMFVEUSE-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.51
Rot. Bonds5

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

N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 110483851) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
PubChem CID110483851
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
SMILESN#Cc1ccc(CNC(=O)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C17H16N2O2/c18-11-14-1-3-15(4-2-14)12-19-17(21)10-7-13-5-8-16(20)9-6-13/h1-6,8-9,20H,7,10,12H2,(H,19,21)
InChIKeyPLDNCDMMFVEUSE-UHFFFAOYSA-N
XLogP2.51
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60776871
N-[2-[3-(4-cyanophenyl)propanoylamino]ethyl]-2-methylpropanamide
CID 33121519
N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide
CID 134035388
3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111333105
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46591143
3-(4-cyanophenyl)-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 60518891
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide
CID 47043373
4-[(4-hydroxyanilino)methyl]benzonitrile
CID 43742708

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide (CID 110483851) is N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide is N#Cc1ccc(CNC(=O)CCc2ccc(O)cc2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is PLDNCDMMFVEUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c18-11-14-1-3-15(4-2-14)12-19-17(21)10-7-13-5-8-16(20)9-6-13/h1-6,8-9,20H,7,10,12H2,(H,19,21).
What are the key properties of N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide?
N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 280.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 110483851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).