4-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)-N-methylbutanamide

C19H23NO2 — CID 19696807

IUPAC4-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)-N-methylbutanamide
SMILESC=CCc1c(OC)ccc2cccc(CCCC(=O)NC)c12
InChIInChI=1S/C19H23NO2/c1-4-7-16-17(22-3)13-12-15-9-5-8-14(19(15)16)10-6-11-18(21)20-2/h4-5,8-9,12-13H,1,6-7,10-11H2,2-3H3,(H,20,21)
InChIKeyVVWIEVJVEPQYQC-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.65
Rot. Bonds7

About 4-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)-N-methylbutanamide

4-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)-N-methylbutanamide (PubChem CID 19696807) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)-N-methylbutanamide
PubChem CID19696807
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)-N-methylbutanamide
SMILESC=CCc1c(OC)ccc2cccc(CCCC(=O)NC)c12
InChIInChI=1S/C19H23NO2/c1-4-7-16-17(22-3)13-12-15-9-5-8-14(19(15)16)10-6-11-18(21)20-2/h4-5,8-9,12-13H,1,6-7,10-11H2,2-3H3,(H,20,21)
InChIKeyVVWIEVJVEPQYQC-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.65
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

1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea
CID 54238918
N-[2-(7-pentoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]acetamide
CID 22912537
N-[2-(8-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 22912546
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
4-[7-[4-[8-[2-(but-3-enoylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-N-methylbutanamide
CID 18007980
N-methyl-4-(2-methylphenyl)butanamide
CID 67667120
5-[8-[1-(ethenylamino)ethenyl]naphthalen-1-yl]-N-methylpent-1-en-2-amine
CID 166847821
1-(2-methoxynaphthalen-1-yl)but-3-en-2-one
CID 139940505
4-(2-benzyl-3-methoxyphenyl)butanoic acid
CID 22324958
3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide
CID 155945725
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
CID 5056113
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
CID 135472749

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)-N-methylbutanamide (CID 19696807) is 4-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)-N-methylbutanamide is C=CCc1c(OC)ccc2cccc(CCCC(=O)NC)c12.
What is the InChIKey of 4-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)-N-methylbutanamide?
The InChIKey is VVWIEVJVEPQYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-4-7-16-17(22-3)13-12-15-9-5-8-14(19(15)16)10-6-11-18(21)20-2/h4-5,8-9,12-13H,1,6-7,10-11H2,2-3H3,(H,20,21).
What are the key properties of 4-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)-N-methylbutanamide?
4-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)-N-methylbutanamide has a molecular weight of 297.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)-N-methylbutanamide is sourced from PubChem (CID 19696807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).