3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide

C32H24N2O2 — CID 4233655

IUPAC3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cccc2ccccc12)Nc1ccccc1NC(=O)C=Cc1cccc2ccccc12
InChIInChI=1S/C32H24N2O2/c35-31(21-19-25-13-7-11-23-9-1-3-15-27(23)25)33-29-17-5-6-18-30(29)34-32(36)22-20-26-14-8-12-24-10-2-4-16-28(24)26/h1-22H,(H,33,35)(H,34,36)
InChIKeyIXNSYESGHZRACW-UHFFFAOYSA-N
MW468.56 g/mol
LogP7.30
Rot. Bonds6

About 3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide

3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide (PubChem CID 4233655) has the molecular formula C32H24N2O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
PubChem CID4233655
Molecular FormulaC32H24N2O2
Molecular Weight468.56 g/mol
Exact Mass468.18
IUPAC Name3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cccc2ccccc12)Nc1ccccc1NC(=O)C=Cc1cccc2ccccc12
InChIInChI=1S/C32H24N2O2/c35-31(21-19-25-13-7-11-23-9-1-3-15-27(23)25)33-29-17-5-6-18-30(29)34-32(36)22-20-26-14-8-12-24-10-2-4-16-28(24)26/h1-22H,(H,33,35)(H,34,36)
InChIKeyIXNSYESGHZRACW-UHFFFAOYSA-N
XLogP7.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 55534896
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 6233859
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide
CID 6233444
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 5178128
(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 6234926
N-[(2-fluorophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 4927958
(E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 17371694
(E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 24592972
3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5177921
N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide
CID 4089044

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide?
The IUPAC name of 3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide (CID 4233655) is 3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide.
What is the SMILES notation for 3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide?
The canonical SMILES for 3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide is O=C(C=Cc1cccc2ccccc12)Nc1ccccc1NC(=O)C=Cc1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide?
The InChIKey is IXNSYESGHZRACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O2/c35-31(21-19-25-13-7-11-23-9-1-3-15-27(23)25)33-29-17-5-6-18-30(29)34-32(36)22-20-26-14-8-12-24-10-2-4-16-28(24)26/h1-22H,(H,33,35)(H,34,36).
What are the key properties of 3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide?
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide has a molecular weight of 468.56 g/mol, XLogP of 7.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 4233655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).