tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate

C16H23NO3 — CID 22182075

IUPACtert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
SMILESCOc1ccc2c(c1)CC(NC(=O)OC(C)(C)C)CC2
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(18)17-13-7-5-11-6-8-14(19-4)10-12(11)9-13/h6,8,10,13H,5,7,9H2,1-4H3,(H,17,18)
InChIKeyABFPWHFDGOWGKT-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.08
Rot. Bonds2

About tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate

tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate (PubChem CID 22182075) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
PubChem CID22182075
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
SMILESCOc1ccc2c(c1)CC(NC(=O)OC(C)(C)C)CC2
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(18)17-13-7-5-11-6-8-14(19-4)10-12(11)9-13/h6,8,10,13H,5,7,9H2,1-4H3,(H,17,18)
InChIKeyABFPWHFDGOWGKT-UHFFFAOYSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

AJ 76
CID 122334
N-[(6-Methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide
CID 11185529
2-Acetamido-8-methoxytetralin
CID 3018920
Cyclohexylcarbamic acid biphenyl-3-yl ester
CID 10108554
7-(prop-2-yn-1-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl N-ethyl-N-methylcarbamate
CID 11045523
8-Methoxy-2-propionamidotetralin
CID 5170952
(4-Methoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-6-ylmethyl)-methoxymethyl-amine
CID 10244841
phenyl N-(3,4-dimethoxyphenethyl)carbamate
CID 887553
2-Propylamino-5-methoxytetralin
CID 10242548
8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12741417
7-(prop-2-yn-1-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl N,N-dimethylcarbamate
CID 10924902
3-[2-(prop-2-yn-1-ylamino)propyl]phenyl N-cyclohexyl-N-methylcarbamate
CID 11068527

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The IUPAC name of tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate (CID 22182075) is tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate is COc1ccc2c(c1)CC(NC(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The InChIKey is ABFPWHFDGOWGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,3)20-15(18)17-13-7-5-11-6-8-14(19-4)10-12(11)9-13/h6,8,10,13H,5,7,9H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate has a molecular weight of 277.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate is sourced from PubChem (CID 22182075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).