2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide

C14H20N2O2 — CID 79238997

IUPAC2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
SMILESCOc1ccc2c(c1)C(NC(C)C(N)=O)CCC2
InChIInChI=1S/C14H20N2O2/c1-9(14(15)17)16-13-5-3-4-10-6-7-11(18-2)8-12(10)13/h6-9,13,16H,3-5H2,1-2H3,(H2,15,17)
InChIKeyXASHJMNJUWHRJL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.54
Rot. Bonds4

About 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide

2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide (PubChem CID 79238997) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
PubChem CID79238997
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
SMILESCOc1ccc2c(c1)C(NC(C)C(N)=O)CCC2
InChIInChI=1S/C14H20N2O2/c1-9(14(15)17)16-13-5-3-4-10-6-7-11(18-2)8-12(10)13/h6-9,13,16H,3-5H2,1-2H3,(H2,15,17)
InChIKeyXASHJMNJUWHRJL-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 61498112
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol
CID 79238909
7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103905307
N-ethyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 43574212
4-methoxy-3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butan-1-ol
CID 103785509
N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239668
7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239504
7-methoxy-N-(1-methoxybutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248596
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
N-[1-(5-chlorothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79230486
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113349188

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide?
The IUPAC name of 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide (CID 79238997) is 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide.
What is the SMILES notation for 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide?
The canonical SMILES for 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide is COc1ccc2c(c1)C(NC(C)C(N)=O)CCC2.
What is the InChIKey of 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide?
The InChIKey is XASHJMNJUWHRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(14(15)17)16-13-5-3-4-10-6-7-11(18-2)8-12(10)13/h6-9,13,16H,3-5H2,1-2H3,(H2,15,17).
What are the key properties of 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide?
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide is sourced from PubChem (CID 79238997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).