(E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide

C18H21NO2 — CID 56754976

IUPAC(E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide
SMILESC/C=C/CC(=O)NC(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H21NO2/c1-4-5-6-18(20)19-13(2)14-7-8-16-12-17(21-3)10-9-15(16)11-14/h4-5,7-13H,6H2,1-3H3,(H,19,20)/b5-4+
InChIKeyQJEVHLQKBPEVBF-SNAWJCMRSA-N
MW283.37 g/mol
LogP3.99
Rot. Bonds5

About (E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide

(E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide (PubChem CID 56754976) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide.

Molecular Properties

Compound Name(E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide
PubChem CID56754976
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide
SMILESC/C=C/CC(=O)NC(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H21NO2/c1-4-5-6-18(20)19-13(2)14-7-8-16-12-17(21-3)10-9-15(16)11-14/h4-5,7-13H,6H2,1-3H3,(H,19,20)/b5-4+
InChIKeyQJEVHLQKBPEVBF-SNAWJCMRSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide
CID 177224278
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 94843861
2-(3-methoxyphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112779282
2-(3,5-dimethoxyphenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 7714005
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81364091
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81371294
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide?
The IUPAC name of (E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide (CID 56754976) is (E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide.
What is the SMILES notation for (E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide?
The canonical SMILES for (E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide is C/C=C/CC(=O)NC(C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of (E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide?
The InChIKey is QJEVHLQKBPEVBF-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-5-6-18(20)19-13(2)14-7-8-16-12-17(21-3)10-9-15(16)11-14/h4-5,7-13H,6H2,1-3H3,(H,19,20)/b5-4+.
What are the key properties of (E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide?
(E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide has a molecular weight of 283.37 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide is sourced from PubChem (CID 56754976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).