N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C17H26N2O — CID 81484388

IUPACN-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCCc2ccccc21
InChIInChI=1S/C17H26N2O/c1-3-17(18,4-2)12-19-16(20)15-11-7-9-13-8-5-6-10-14(13)15/h5-6,8,10,15H,3-4,7,9,11-12,18H2,1-2H3,(H,19,20)
InChIKeyKWCCUDSPWMGGSM-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.74
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 81484388) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID81484388
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCCc2ccccc21
InChIInChI=1S/C17H26N2O/c1-3-17(18,4-2)12-19-16(20)15-11-7-9-13-8-5-6-10-14(13)15/h5-6,8,10,15H,3-4,7,9,11-12,18H2,1-2H3,(H,19,20)
InChIKeyKWCCUDSPWMGGSM-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-ethylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 115305837
N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64991886
N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113492689
N-(3-bromo-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114313424
2-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoic acid
CID 79792733
(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 39983733
(1S)-N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 94188090
2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806
N-[2-(methylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103512711
N-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113496484
N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107318401
N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114307725

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 81484388) is N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CCC(N)(CC)CNC(=O)C1CCCc2ccccc21.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is KWCCUDSPWMGGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-17(18,4-2)12-19-16(20)15-11-7-9-13-8-5-6-10-14(13)15/h5-6,8,10,15H,3-4,7,9,11-12,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 81484388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).