N-[3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]phenyl]-2-phenylpropanamide

C27H23NO2 — CID 172539215

IUPACN-[3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]phenyl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1cccc(/C=C/c2c(O)ccc3ccccc23)c1)c1ccccc1
InChIInChI=1S/C27H23NO2/c1-19(21-9-3-2-4-10-21)27(30)28-23-12-7-8-20(18-23)14-16-25-24-13-6-5-11-22(24)15-17-26(25)29/h2-19,29H,1H3,(H,28,30)/b16-14+
InChIKeyCRTLDSBJPQFGLP-JQIJEIRASA-N
MW393.49 g/mol
LogP6.46
Rot. Bonds5

About N-[3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]phenyl]-2-phenylpropanamide

N-[3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]phenyl]-2-phenylpropanamide (PubChem CID 172539215) has the molecular formula C27H23NO2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]phenyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]phenyl]-2-phenylpropanamide
PubChem CID172539215
Molecular FormulaC27H23NO2
Molecular Weight393.49 g/mol
Exact Mass393.17
IUPAC NameN-[3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]phenyl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1cccc(/C=C/c2c(O)ccc3ccccc23)c1)c1ccccc1
InChIInChI=1S/C27H23NO2/c1-19(21-9-3-2-4-10-21)27(30)28-23-12-7-8-20(18-23)14-16-25-24-13-6-5-11-22(24)15-17-26(25)29/h2-19,29H,1H3,(H,28,30)/b16-14+
InChIKeyCRTLDSBJPQFGLP-JQIJEIRASA-N
XLogP6.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-ol
CID 57387489
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
2-(3,4-dihydroxyphenyl)-N-phenylpropanamide
CID 19745950
ethyl 3-(2-phenylpropanoylamino)benzoate
CID 54084497
5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol
CID 44516242
methyl 3-(2-phenylpropanoylamino)benzoate
CID 104916705
3-acetamido-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135684551
N-(4-formylphenyl)-2-phenylpropanamide
CID 87347129
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
CID 135679666
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide
CID 139178452
(E)-3-[3-[(2-amino-3-methylpentanoyl)amino]phenyl]prop-2-enoic acid
CID 115339681

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]phenyl]-2-phenylpropanamide?
The IUPAC name of N-[3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]phenyl]-2-phenylpropanamide (CID 172539215) is N-[3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]phenyl]-2-phenylpropanamide.
What is the SMILES notation for N-[3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]phenyl]-2-phenylpropanamide?
The canonical SMILES for N-[3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]phenyl]-2-phenylpropanamide is CC(C(=O)Nc1cccc(/C=C/c2c(O)ccc3ccccc23)c1)c1ccccc1.
What is the InChIKey of N-[3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]phenyl]-2-phenylpropanamide?
The InChIKey is CRTLDSBJPQFGLP-JQIJEIRASA-N. The full InChI is InChI=1S/C27H23NO2/c1-19(21-9-3-2-4-10-21)27(30)28-23-12-7-8-20(18-23)14-16-25-24-13-6-5-11-22(24)15-17-26(25)29/h2-19,29H,1H3,(H,28,30)/b16-14+.
What are the key properties of N-[3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]phenyl]-2-phenylpropanamide?
N-[3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]phenyl]-2-phenylpropanamide has a molecular weight of 393.49 g/mol, XLogP of 6.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]phenyl]-2-phenylpropanamide is sourced from PubChem (CID 172539215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).