N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide

C16H22N2O2 — CID 116649753

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide
SMILESNc1ccc2c(c1)CCCC2NC(=O)C1CCOCC1
InChIInChI=1S/C16H22N2O2/c17-13-4-5-14-12(10-13)2-1-3-15(14)18-16(19)11-6-8-20-9-7-11/h4-5,10-11,15H,1-3,6-9,17H2,(H,18,19)
InChIKeyMDSHRBBGIDGVPJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.19
Rot. Bonds2

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide (PubChem CID 116649753) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide
PubChem CID116649753
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide
SMILESNc1ccc2c(c1)CCCC2NC(=O)C1CCOCC1
InChIInChI=1S/C16H22N2O2/c17-13-4-5-14-12(10-13)2-1-3-15(14)18-16(19)11-6-8-20-9-7-11/h4-5,10-11,15H,1-3,6-9,17H2,(H,18,19)
InChIKeyMDSHRBBGIDGVPJ-UHFFFAOYSA-N
XLogP2.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
CID 122081064
3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea
CID 116650161
N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide
CID 99795360
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
4-(aminomethyl)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 122081059
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide
CID 83192047
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide
CID 116649897
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide
CID 116649772
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide
CID 79741197
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide
CID 116649879
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide
CID 116649806
(Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide
CID 116649737

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide (CID 116649753) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide is Nc1ccc2c(c1)CCCC2NC(=O)C1CCOCC1.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide?
The InChIKey is MDSHRBBGIDGVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-13-4-5-14-12(10-13)2-1-3-15(14)18-16(19)11-6-8-20-9-7-11/h4-5,10-11,15H,1-3,6-9,17H2,(H,18,19).
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide is sourced from PubChem (CID 116649753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).