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

C17H25NO3 — CID 115510557

IUPACethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate
SMILESCCOC(=O)CCCNC1CCc2ccc(OC)cc2C1
InChIInChI=1S/C17H25NO3/c1-3-21-17(19)5-4-10-18-15-8-6-13-7-9-16(20-2)12-14(13)11-15/h7,9,12,15,18H,3-6,8,10-11H2,1-2H3
InChIKeyGWDMXHSRCJNERN-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.49
Rot. Bonds7

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

ethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate (PubChem CID 115510557) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate
PubChem CID115510557
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate
SMILESCCOC(=O)CCCNC1CCc2ccc(OC)cc2C1
InChIInChI=1S/C17H25NO3/c1-3-21-17(19)5-4-10-18-15-8-6-13-7-9-16(20-2)12-14(13)11-15/h7,9,12,15,18H,3-6,8,10-11H2,1-2H3
InChIKeyGWDMXHSRCJNERN-UHFFFAOYSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide
CID 115510410
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
N-(3-fluoropropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75441597
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
7-methoxy-N-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510465
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid
CID 122127288
ethyl 2-[[7-(2-hydroxyethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate;hydrochloride
CID 23191781
6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 23634994
ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 129389823
N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide
CID 115510319
(2R)-7-methoxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 97108117
2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 100968562

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate?
The IUPAC name of ethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate (CID 115510557) is ethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate?
The canonical SMILES for ethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate is CCOC(=O)CCCNC1CCc2ccc(OC)cc2C1.
What is the InChIKey of ethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate?
The InChIKey is GWDMXHSRCJNERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-21-17(19)5-4-10-18-15-8-6-13-7-9-16(20-2)12-14(13)11-15/h7,9,12,15,18H,3-6,8,10-11H2,1-2H3.
What are the key properties of ethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate?
ethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate has a molecular weight of 291.39 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate is sourced from PubChem (CID 115510557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).