3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide

C24H22N2O3 — CID 86972910

IUPAC3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide
SMILESN#Cc1ccccc1COc1cccc(C(=O)NCCCc2ccc(O)cc2)c1
InChIInChI=1S/C24H22N2O3/c25-16-20-6-1-2-7-21(20)17-29-23-9-3-8-19(15-23)24(28)26-14-4-5-18-10-12-22(27)13-11-18/h1-3,6-13,15,27H,4-5,14,17H2,(H,26,28)
InChIKeyVSEFLKYIGYWOHO-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.21
Rot. Bonds8

About 3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide

3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide (PubChem CID 86972910) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide
PubChem CID86972910
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide
SMILESN#Cc1ccccc1COc1cccc(C(=O)NCCCc2ccc(O)cc2)c1
InChIInChI=1S/C24H22N2O3/c25-16-20-6-1-2-7-21(20)17-29-23-9-3-8-19(15-23)24(28)26-14-4-5-18-10-12-22(27)13-11-18/h1-3,6-13,15,27H,4-5,14,17H2,(H,26,28)
InChIKeyVSEFLKYIGYWOHO-UHFFFAOYSA-N
XLogP4.21
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-cyanophenyl)methoxy]-N-prop-2-ynylbenzamide
CID 47070755
3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide
CID 52738677
N-(2-chlorophenyl)-3-[(2-cyanophenyl)methoxy]benzamide
CID 52738882
3-[(2-cyanophenyl)methoxy]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 60571650
3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86832339
3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide
CID 17233441
3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide
CID 119429629
3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide
CID 60572425
N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide
CID 86972966
2-(phenoxymethyl)-N-(3-phenylpropyl)benzamide
CID 32979372
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
3-[(2-cyanophenyl)methoxy]-N-[(2S)-2-cyanopropyl]-N-methylbenzamide
CID 94783638

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide?
The IUPAC name of 3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide (CID 86972910) is 3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide.
What is the SMILES notation for 3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide?
The canonical SMILES for 3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide is N#Cc1ccccc1COc1cccc(C(=O)NCCCc2ccc(O)cc2)c1.
What is the InChIKey of 3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide?
The InChIKey is VSEFLKYIGYWOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c25-16-20-6-1-2-7-21(20)17-29-23-9-3-8-19(15-23)24(28)26-14-4-5-18-10-12-22(27)13-11-18/h1-3,6-13,15,27H,4-5,14,17H2,(H,26,28).
What are the key properties of 3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide?
3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide is sourced from PubChem (CID 86972910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).