3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide

C28H22N2O2 — CID 3507012

IUPAC3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1cccc2c(NC(=O)C=Cc3ccccc3)cccc12
InChIInChI=1S/C28H22N2O2/c31-27(19-17-21-9-3-1-4-10-21)29-25-15-7-14-24-23(25)13-8-16-26(24)30-28(32)20-18-22-11-5-2-6-12-22/h1-20H,(H,29,31)(H,30,32)
InChIKeyKAAAQVHHDRHFEV-UHFFFAOYSA-N
MW418.50 g/mol
LogP6.14
Rot. Bonds6

About 3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide

3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide (PubChem CID 3507012) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide.

Molecular Properties

Compound Name3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
PubChem CID3507012
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC Name3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1cccc2c(NC(=O)C=Cc3ccccc3)cccc12
InChIInChI=1S/C28H22N2O2/c31-27(19-17-21-9-3-1-4-10-21)29-25-15-7-14-24-23(25)13-8-16-26(24)30-28(32)20-18-22-11-5-2-6-12-22/h1-20H,(H,29,31)(H,30,32)
InChIKeyKAAAQVHHDRHFEV-UHFFFAOYSA-N
XLogP6.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide with MolForge

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Related Compounds

(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
2-(3-phenylprop-2-enoylamino)benzoate
CID 6935692
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide
CID 154425563
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
(E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide
CID 10611794
(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
CID 952598
N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide
CID 139612240
(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 92904671
(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 804776
(E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide
CID 43601058

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide?
The IUPAC name of 3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide (CID 3507012) is 3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide.
What is the SMILES notation for 3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide?
The canonical SMILES for 3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide is O=C(C=Cc1ccccc1)Nc1cccc2c(NC(=O)C=Cc3ccccc3)cccc12.
What is the InChIKey of 3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide?
The InChIKey is KAAAQVHHDRHFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2/c31-27(19-17-21-9-3-1-4-10-21)29-25-15-7-14-24-23(25)13-8-16-26(24)30-28(32)20-18-22-11-5-2-6-12-22/h1-20H,(H,29,31)(H,30,32).
What are the key properties of 3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide?
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide has a molecular weight of 418.50 g/mol, XLogP of 6.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide is sourced from PubChem (CID 3507012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).