propan-2-yl N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)carbamate

C16H23NO2 — CID 157311508

IUPACpropan-2-yl N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)carbamate
SMILESCC(C)OC(=O)N(C)Cc1cccc2c1CCCC2
InChIInChI=1S/C16H23NO2/c1-12(2)19-16(18)17(3)11-14-9-6-8-13-7-4-5-10-15(13)14/h6,8-9,12H,4-5,7,10-11H2,1-3H3
InChIKeyZQSGXNWNNIGFCK-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.54
Rot. Bonds3

About propan-2-yl N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)carbamate

propan-2-yl N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)carbamate (PubChem CID 157311508) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is propan-2-yl N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)carbamate
PubChem CID157311508
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namepropan-2-yl N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)carbamate
SMILESCC(C)OC(=O)N(C)Cc1cccc2c1CCCC2
InChIInChI=1S/C16H23NO2/c1-12(2)19-16(18)17(3)11-14-9-6-8-13-7-4-5-10-15(13)14/h6,8-9,12H,4-5,7,10-11H2,1-3H3
InChIKeyZQSGXNWNNIGFCK-UHFFFAOYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze propan-2-yl N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)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

N,N-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19804
propan-2-yl N-methyl-N-(quinolin-5-ylmethyl)carbamate
CID 135388422
2-bromo-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 104512952
4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one
CID 39349304
2-(2,3-dihydro-1H-inden-4-yl)acetic acid
CID 15212214
N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine
CID 59487265
dimethyl 2,2-bis(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propanedioate
CID 54556119
propan-2-yl N-methyl-N-(pyrimidin-2-ylmethyl)carbamate
CID 177326284
5,6,7,8-tetrahydronaphthalen-1-ylmethoxymethanol
CID 140617334
5-(7-propan-2-ylsulfonylheptyl)-1,2,3,4-tetrahydronaphthalene
CID 59545922
1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 111578848
N-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine
CID 54347054

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)carbamate?
The IUPAC name of propan-2-yl N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)carbamate (CID 157311508) is propan-2-yl N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)carbamate.
What is the SMILES notation for propan-2-yl N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)carbamate?
The canonical SMILES for propan-2-yl N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)carbamate is CC(C)OC(=O)N(C)Cc1cccc2c1CCCC2.
What is the InChIKey of propan-2-yl N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)carbamate?
The InChIKey is ZQSGXNWNNIGFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)19-16(18)17(3)11-14-9-6-8-13-7-4-5-10-15(13)14/h6,8-9,12H,4-5,7,10-11H2,1-3H3.
What are the key properties of propan-2-yl N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)carbamate?
propan-2-yl N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)carbamate has a molecular weight of 261.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)carbamate is sourced from PubChem (CID 157311508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).