(Z)-1-naphthalen-2-yl-3-(phenacylamino)prop-2-en-1-one

C21H17NO2 — CID 5345820

IUPAC(Z)-1-naphthalen-2-yl-3-(phenacylamino)prop-2-en-1-one
SMILESO=C(/C=C\NCC(=O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H17NO2/c23-20(19-11-10-16-6-4-5-9-18(16)14-19)12-13-22-15-21(24)17-7-2-1-3-8-17/h1-14,22H,15H2/b13-12-
InChIKeyHAJANKFDMUFIOI-SEYXRHQNSA-N
MW315.37 g/mol
LogP4.01
Rot. Bonds6

About (Z)-1-naphthalen-2-yl-3-(phenacylamino)prop-2-en-1-one

(Z)-1-naphthalen-2-yl-3-(phenacylamino)prop-2-en-1-one (PubChem CID 5345820) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is (Z)-1-naphthalen-2-yl-3-(phenacylamino)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-naphthalen-2-yl-3-(phenacylamino)prop-2-en-1-one
PubChem CID5345820
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name(Z)-1-naphthalen-2-yl-3-(phenacylamino)prop-2-en-1-one
SMILESO=C(/C=C\NCC(=O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H17NO2/c23-20(19-11-10-16-6-4-5-9-18(16)14-19)12-13-22-15-21(24)17-7-2-1-3-8-17/h1-14,22H,15H2/b13-12-
InChIKeyHAJANKFDMUFIOI-SEYXRHQNSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-naphthalen-2-yl-3-(phenacylamino)prop-2-en-1-one?
The IUPAC name of (Z)-1-naphthalen-2-yl-3-(phenacylamino)prop-2-en-1-one (CID 5345820) is (Z)-1-naphthalen-2-yl-3-(phenacylamino)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-naphthalen-2-yl-3-(phenacylamino)prop-2-en-1-one?
The canonical SMILES for (Z)-1-naphthalen-2-yl-3-(phenacylamino)prop-2-en-1-one is O=C(/C=C\NCC(=O)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of (Z)-1-naphthalen-2-yl-3-(phenacylamino)prop-2-en-1-one?
The InChIKey is HAJANKFDMUFIOI-SEYXRHQNSA-N. The full InChI is InChI=1S/C21H17NO2/c23-20(19-11-10-16-6-4-5-9-18(16)14-19)12-13-22-15-21(24)17-7-2-1-3-8-17/h1-14,22H,15H2/b13-12-.
What are the key properties of (Z)-1-naphthalen-2-yl-3-(phenacylamino)prop-2-en-1-one?
(Z)-1-naphthalen-2-yl-3-(phenacylamino)prop-2-en-1-one has a molecular weight of 315.37 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-naphthalen-2-yl-3-(phenacylamino)prop-2-en-1-one is sourced from PubChem (CID 5345820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).