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

C19H27NO3 — CID 104856600

IUPACtert-butyl N-[1-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)C1CC(C)c2ccccc2C1=O
InChIInChI=1S/C19H27NO3/c1-6-16(20-18(22)23-19(3,4)5)15-11-12(2)13-9-7-8-10-14(13)17(15)21/h7-10,12,15-16H,6,11H2,1-5H3,(H,20,22)
InChIKeyFCQIBVNKZOKEBN-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.30
Rot. Bonds3

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

tert-butyl N-[1-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate (PubChem CID 104856600) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is tert-butyl N-[1-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate
PubChem CID104856600
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Nametert-butyl N-[1-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)C1CC(C)c2ccccc2C1=O
InChIInChI=1S/C19H27NO3/c1-6-16(20-18(22)23-19(3,4)5)15-11-12(2)13-9-7-8-10-14(13)17(15)21/h7-10,12,15-16H,6,11H2,1-5H3,(H,20,22)
InChIKeyFCQIBVNKZOKEBN-UHFFFAOYSA-N
XLogP4.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate
CID 104856537
tert-butyl N-[1-(7-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-methoxyethyl]carbamate
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tert-butyl N-[(1S)-1-(1-benzylpyrrolidin-3-yl)propyl]carbamate
CID 10358533
tert-butyl N-[(2S)-3,3-dimethyl-1-[[(7R)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxobutan-2-yl]carbamate
CID 23552813
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 7018222
tert-butyl N-[(1S)-1-[(2S)-4-oxoazetidin-2-yl]-2-phenylethyl]carbamate
CID 101130540
(2S)-2-(9H-fluoren-9-ylmethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
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tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 28875372
tert-butyl N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]carbamate
CID 11098288
tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate
CID 90885725
tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;tert-butyl N-[(1R)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
CID 160649461
tert-butyl N-(4-oxo-2,3-dihydrothiochromen-3-yl)carbamate
CID 46742696

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate (CID 104856600) is tert-butyl N-[1-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate is CCC(NC(=O)OC(C)(C)C)C1CC(C)c2ccccc2C1=O.
What is the InChIKey of tert-butyl N-[1-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate?
The InChIKey is FCQIBVNKZOKEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-6-16(20-18(22)23-19(3,4)5)15-11-12(2)13-9-7-8-10-14(13)17(15)21/h7-10,12,15-16H,6,11H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-[1-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate?
tert-butyl N-[1-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate has a molecular weight of 317.43 g/mol, XLogP of 4.30, 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-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate is sourced from PubChem (CID 104856600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).