(E)-3-naphthalen-1-yl-N-phenylmethoxyprop-2-enamide

C20H17NO2 — CID 32580480

IUPAC(E)-3-naphthalen-1-yl-N-phenylmethoxyprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NOCc1ccccc1
InChIInChI=1S/C20H17NO2/c22-20(21-23-15-16-7-2-1-3-8-16)14-13-18-11-6-10-17-9-4-5-12-19(17)18/h1-14H,15H2,(H,21,22)/b14-13+
InChIKeyTZNIZQIWCJIQCU-BUHFOSPRSA-N
MW303.36 g/mol
LogP4.10
Rot. Bonds5

About (E)-3-naphthalen-1-yl-N-phenylmethoxyprop-2-enamide

(E)-3-naphthalen-1-yl-N-phenylmethoxyprop-2-enamide (PubChem CID 32580480) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (E)-3-naphthalen-1-yl-N-phenylmethoxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-naphthalen-1-yl-N-phenylmethoxyprop-2-enamide
PubChem CID32580480
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name(E)-3-naphthalen-1-yl-N-phenylmethoxyprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NOCc1ccccc1
InChIInChI=1S/C20H17NO2/c22-20(21-23-15-16-7-2-1-3-8-16)14-13-18-11-6-10-17-9-4-5-12-19(17)18/h1-14H,15H2,(H,21,22)/b14-13+
InChIKeyTZNIZQIWCJIQCU-BUHFOSPRSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-naphthalen-1-yl-N-phenylmethoxyprop-2-enamide?
The IUPAC name of (E)-3-naphthalen-1-yl-N-phenylmethoxyprop-2-enamide (CID 32580480) is (E)-3-naphthalen-1-yl-N-phenylmethoxyprop-2-enamide.
What is the SMILES notation for (E)-3-naphthalen-1-yl-N-phenylmethoxyprop-2-enamide?
The canonical SMILES for (E)-3-naphthalen-1-yl-N-phenylmethoxyprop-2-enamide is O=C(/C=C/c1cccc2ccccc12)NOCc1ccccc1.
What is the InChIKey of (E)-3-naphthalen-1-yl-N-phenylmethoxyprop-2-enamide?
The InChIKey is TZNIZQIWCJIQCU-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H17NO2/c22-20(21-23-15-16-7-2-1-3-8-16)14-13-18-11-6-10-17-9-4-5-12-19(17)18/h1-14H,15H2,(H,21,22)/b14-13+.
What are the key properties of (E)-3-naphthalen-1-yl-N-phenylmethoxyprop-2-enamide?
(E)-3-naphthalen-1-yl-N-phenylmethoxyprop-2-enamide has a molecular weight of 303.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-1-yl-N-phenylmethoxyprop-2-enamide is sourced from PubChem (CID 32580480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).