N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]but-2-ynamide

C19H21NO2 — CID 146083537

IUPACN-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]but-2-ynamide
SMILESCC#CC(=O)N(C)Cc1c(OCCC)ccc2ccccc12
InChIInChI=1S/C19H21NO2/c1-4-8-19(21)20(3)14-17-16-10-7-6-9-15(16)11-12-18(17)22-13-5-2/h6-7,9-12H,5,13-14H2,1-3H3
InChIKeyKKLJZQPRUQLQDL-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.61
Rot. Bonds5

About N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]but-2-ynamide

N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]but-2-ynamide (PubChem CID 146083537) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]but-2-ynamide.

Molecular Properties

Compound NameN-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]but-2-ynamide
PubChem CID146083537
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]but-2-ynamide
SMILESCC#CC(=O)N(C)Cc1c(OCCC)ccc2ccccc12
InChIInChI=1S/C19H21NO2/c1-4-8-19(21)20(3)14-17-16-10-7-6-9-15(16)11-12-18(17)22-13-5-2/h6-7,9-12H,5,13-14H2,1-3H3
InChIKeyKKLJZQPRUQLQDL-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2,4-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]-1,3-thiazole-5-carboxamide
CID 39965461
1-ethyl-2-propoxynaphthalene
CID 129259410
N,2,7-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 35187912
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide
CID 18137288
1-(2-propoxynaphthalen-1-yl)butan-1-one
CID 82263091
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide
CID 43017752
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide
CID 24622389
2-(2-butoxynaphthalen-1-yl)acetate
CID 7037013
2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide
CID 22683076
[2-(2-propoxyethoxy)naphthalen-1-yl]methanol
CID 106453720
1-methylsulfanyl-2-propoxynaphthalene
CID 91657285
N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide
CID 43505701

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]but-2-ynamide?
The IUPAC name of N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]but-2-ynamide (CID 146083537) is N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]but-2-ynamide.
What is the SMILES notation for N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]but-2-ynamide?
The canonical SMILES for N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]but-2-ynamide is CC#CC(=O)N(C)Cc1c(OCCC)ccc2ccccc12.
What is the InChIKey of N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]but-2-ynamide?
The InChIKey is KKLJZQPRUQLQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-4-8-19(21)20(3)14-17-16-10-7-6-9-15(16)11-12-18(17)22-13-5-2/h6-7,9-12H,5,13-14H2,1-3H3.
What are the key properties of N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]but-2-ynamide?
N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]but-2-ynamide has a molecular weight of 295.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]but-2-ynamide is sourced from PubChem (CID 146083537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).