tert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate

C18H25NO3 — CID 104856537

IUPACtert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)C1CCc2ccccc2C1=O
InChIInChI=1S/C18H25NO3/c1-5-15(19-17(21)22-18(2,3)4)14-11-10-12-8-6-7-9-13(12)16(14)20/h6-9,14-15H,5,10-11H2,1-4H3,(H,19,21)
InChIKeyNUBWIDWCTFELHU-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.73
Rot. Bonds3

About tert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate

tert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate (PubChem CID 104856537) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate
PubChem CID104856537
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nametert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)C1CCc2ccccc2C1=O
InChIInChI=1S/C18H25NO3/c1-5-15(19-17(21)22-18(2,3)4)14-11-10-12-8-6-7-9-13(12)16(14)20/h6-9,14-15H,5,10-11H2,1-4H3,(H,19,21)
InChIKeyNUBWIDWCTFELHU-UHFFFAOYSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate
CID 104856600
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]carbamate
CID 134960024
tert-butyl N-[1-(7-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-methoxyethyl]carbamate
CID 104856603
tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate
CID 103905914
tert-butyl N-[(1S)-1-(1-benzylpyrrolidin-3-yl)propyl]carbamate
CID 10358533
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-[(1S)-1-[(2S)-4-oxoazetidin-2-yl]-2-phenylethyl]carbamate
CID 101130540
tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate
CID 90885725
tert-butyl N-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]carbamate
CID 107250366
2-[1-(4-methoxyphenyl)-4,4-dimethyl-3-oxopentyl]-3,4-dihydro-2H-naphthalen-1-one
CID 3454833
tert-butyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate
CID 10246340
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoic acid
CID 25417523

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate (CID 104856537) is tert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate is CCC(NC(=O)OC(C)(C)C)C1CCc2ccccc2C1=O.
What is the InChIKey of tert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate?
The InChIKey is NUBWIDWCTFELHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-5-15(19-17(21)22-18(2,3)4)14-11-10-12-8-6-7-9-13(12)16(14)20/h6-9,14-15H,5,10-11H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate?
tert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate has a molecular weight of 303.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate is sourced from PubChem (CID 104856537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).