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

C18H25NO3 — CID 134925566

IUPACtert-butyl N-methyl-N-[(3-methyl-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)methyl]carbamate
SMILESCC1CC(CN(C)C(=O)OC(C)(C)C)c2ccccc2C1=O
InChIInChI=1S/C18H25NO3/c1-12-10-13(11-19(5)17(21)22-18(2,3)4)14-8-6-7-9-15(14)16(12)20/h6-9,12-13H,10-11H2,1-5H3
InChIKeyLKSWYEQGHCRJPL-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.86
Rot. Bonds2

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

tert-butyl N-methyl-N-[(3-methyl-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)methyl]carbamate (PubChem CID 134925566) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(3-methyl-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(3-methyl-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)methyl]carbamate
PubChem CID134925566
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nametert-butyl N-methyl-N-[(3-methyl-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)methyl]carbamate
SMILESCC1CC(CN(C)C(=O)OC(C)(C)C)c2ccccc2C1=O
InChIInChI=1S/C18H25NO3/c1-12-10-13(11-19(5)17(21)22-18(2,3)4)14-8-6-7-9-15(14)16(12)20/h6-9,12-13H,10-11H2,1-5H3
InChIKeyLKSWYEQGHCRJPL-UHFFFAOYSA-N
XLogP3.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1(2H)-Naphthalenone, 2-((dimethylamino)methyl)-3,4-dihydro-, hydrochloride (1:1)
CID 199867
1(2H)-Naphthalenone, 3,4-dihydro-2-((dimethylamino)methyl)-
CID 23812
2-Methyl-3-(n'-tert-butyloxycarbonyl-2-aminoethyl)-1,4-naphthoquinone
CID 10852825
tert-butyl 4-(9,10-dioxoanthracen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154697552
tert-butyl (3R,4R,4aS,8aR)-4-methyl-3-phenacyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 42627944
3-(3,4-Dioxo-1-phenyl-3,4-dihydro-naphthalen-2-yl)-N,N-diethyl-propionamide
CID 44301182
tert-butyl N-[5-(3-methyl-1,4-dioxonaphthalen-2-yl)pentyl]carbamate
CID 10666041
2-[(Dimethylamino)methyl]-4-methyl-3,4-dihydronaphthalen-1(2H)-one--hydrogen chloride (1/1)
CID 118714798
tert-butyl N-[3-(3-methyl-1,4-dioxonaphthalen-2-yl)propyl]carbamate
CID 10520395
n,n,n-Trimethyl(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)methanaminium iodide
CID 375929
(1-Propyl-3-piperidyl)-tetralin-6-yl-methanone
CID 121479059
3,4-Dihydro-2-(3-(1-piperidinyl)propyl)-1(2H)-naphthalenone
CID 56890

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(3-methyl-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(3-methyl-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)methyl]carbamate (CID 134925566) is tert-butyl N-methyl-N-[(3-methyl-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(3-methyl-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(3-methyl-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)methyl]carbamate is CC1CC(CN(C)C(=O)OC(C)(C)C)c2ccccc2C1=O.
What is the InChIKey of tert-butyl N-methyl-N-[(3-methyl-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)methyl]carbamate?
The InChIKey is LKSWYEQGHCRJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12-10-13(11-19(5)17(21)22-18(2,3)4)14-8-6-7-9-15(14)16(12)20/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[(3-methyl-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)methyl]carbamate?
tert-butyl N-methyl-N-[(3-methyl-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)methyl]carbamate has a molecular weight of 303.40 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(3-methyl-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)methyl]carbamate is sourced from PubChem (CID 134925566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).