tert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate

C17H24N2O3 — CID 60596283

IUPACtert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)18-11-15(20)19-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10H,4-5,7,9,11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyJDPJMIZYXVELIA-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.03
Rot. Bonds3

About tert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate

tert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate (PubChem CID 60596283) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate
PubChem CID60596283
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)18-11-15(20)19-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10H,4-5,7,9,11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyJDPJMIZYXVELIA-UHFFFAOYSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 23200830
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
tert-butyl N-[2-[2-(chloromethyl)-3-methylanilino]-2-oxoethyl]carbamate
CID 14368472
2-(cyclopropylmethylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 60841919
methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate
CID 90481970
tert-butyl N-[2-[2-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]carbamate
CID 108917414
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
tert-butyl N-[2-[2-(cyclopentanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917443
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
tert-butyl N-[2-[2-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917369
N-(5-fluoro-2-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 37478676
tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917372

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate (CID 60596283) is tert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of tert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate?
The InChIKey is JDPJMIZYXVELIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)18-11-15(20)19-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10H,4-5,7,9,11H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of tert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate?
tert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate has a molecular weight of 304.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate is sourced from PubChem (CID 60596283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).