(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-naphthalen-1-ylprop-2-enamide

C21H23NO — CID 1337150

IUPAC(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NCCC1=CCCCC1
InChIInChI=1S/C21H23NO/c23-21(22-16-15-17-7-2-1-3-8-17)14-13-19-11-6-10-18-9-4-5-12-20(18)19/h4-7,9-14H,1-3,8,15-16H2,(H,22,23)/b14-13+
InChIKeyPMYYFKBIVSBLIH-BUHFOSPRSA-N
MW305.42 g/mol
LogP4.86
Rot. Bonds5

About (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-naphthalen-1-ylprop-2-enamide

(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 1337150) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID1337150
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NCCC1=CCCCC1
InChIInChI=1S/C21H23NO/c23-21(22-16-15-17-7-2-1-3-8-17)14-13-19-11-6-10-18-9-4-5-12-20(18)19/h4-7,9-14H,1-3,8,15-16H2,(H,22,23)/b14-13+
InChIKeyPMYYFKBIVSBLIH-BUHFOSPRSA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-naphthalen-1-ylprop-2-enamide (CID 1337150) is (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-naphthalen-1-ylprop-2-enamide is O=C(/C=C/c1cccc2ccccc12)NCCC1=CCCCC1.
What is the InChIKey of (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is PMYYFKBIVSBLIH-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H23NO/c23-21(22-16-15-17-7-2-1-3-8-17)14-13-19-11-6-10-18-9-4-5-12-20(18)19/h4-7,9-14H,1-3,8,15-16H2,(H,22,23)/b14-13+.
What are the key properties of (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-naphthalen-1-ylprop-2-enamide?
(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 305.42 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 1337150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).