N-(3-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

C12H16N2O — CID 130012074

IUPACN-(3-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1cc(N)cc2c1CCCC2
InChIInChI=1S/C12H16N2O/c1-8(15)14-12-7-10(13)6-9-4-2-3-5-11(9)12/h6-7H,2-5,13H2,1H3,(H,14,15)
InChIKeyZOPHVGOHRMDAQF-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.11
Rot. Bonds1

About N-(3-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

N-(3-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 130012074) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(3-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
PubChem CID130012074
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(3-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1cc(N)cc2c1CCCC2
InChIInChI=1S/C12H16N2O/c1-8(15)14-12-7-10(13)6-9-4-2-3-5-11(9)12/h6-7H,2-5,13H2,1H3,(H,14,15)
InChIKeyZOPHVGOHRMDAQF-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 61092120
methyl 3-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;methyl 3-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 160683449
N-(6-cyano-2,3-dihydro-1H-inden-5-yl)acetamide
CID 10536029
4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine
CID 167114083
N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18072524
N-(4-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)acetamide
CID 25140754
N-(5-amino-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 120568967
N-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide
CID 84777244
N-[2-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-1-yl)phenyl]acetamide
CID 86096240
N-(6-tricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaenyl)acetamide
CID 626194
1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 43468950

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of N-(3-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (CID 130012074) is N-(3-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for N-(3-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is CC(=O)Nc1cc(N)cc2c1CCCC2.
What is the InChIKey of N-(3-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is ZOPHVGOHRMDAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(15)14-12-7-10(13)6-9-4-2-3-5-11(9)12/h6-7H,2-5,13H2,1H3,(H,14,15).
What are the key properties of N-(3-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
N-(3-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 204.27 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 130012074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).