ethyl N-(2-methylnaphthalen-1-yl)carbamate

C14H15NO2 — CID 171853862

IUPACethyl N-(2-methylnaphthalen-1-yl)carbamate
SMILESCCOC(=O)Nc1c(C)ccc2ccccc12
InChIInChI=1S/C14H15NO2/c1-3-17-14(16)15-13-10(2)8-9-11-6-4-5-7-12(11)13/h4-9H,3H2,1-2H3,(H,15,16)
InChIKeyKPNXEJLQXGPBCJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.72
Rot. Bonds2

About ethyl N-(2-methylnaphthalen-1-yl)carbamate

ethyl N-(2-methylnaphthalen-1-yl)carbamate (PubChem CID 171853862) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl N-(2-methylnaphthalen-1-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-methylnaphthalen-1-yl)carbamate
PubChem CID171853862
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Nameethyl N-(2-methylnaphthalen-1-yl)carbamate
SMILESCCOC(=O)Nc1c(C)ccc2ccccc12
InChIInChI=1S/C14H15NO2/c1-3-17-14(16)15-13-10(2)8-9-11-6-4-5-7-12(11)13/h4-9H,3H2,1-2H3,(H,15,16)
InChIKeyKPNXEJLQXGPBCJ-UHFFFAOYSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate
CID 126500414
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ethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate
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methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate
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N-(2-methylnaphthalen-1-yl)-2-naphthalen-1-yloxyacetamide
CID 856175
ethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate
CID 15066353
ethyl acetate;phenanthrene
CID 160726264
ethyl N-[2-(4-hydroxybenzoyl)benzo[e][1]benzofuran-1-yl]carbamate
CID 11417496
2-[(2-methylnaphthalen-1-yl)amino]propanoic acid
CID 22906744
3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide
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N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide
CID 6951819

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-methylnaphthalen-1-yl)carbamate?
The IUPAC name of ethyl N-(2-methylnaphthalen-1-yl)carbamate (CID 171853862) is ethyl N-(2-methylnaphthalen-1-yl)carbamate.
What is the SMILES notation for ethyl N-(2-methylnaphthalen-1-yl)carbamate?
The canonical SMILES for ethyl N-(2-methylnaphthalen-1-yl)carbamate is CCOC(=O)Nc1c(C)ccc2ccccc12.
What is the InChIKey of ethyl N-(2-methylnaphthalen-1-yl)carbamate?
The InChIKey is KPNXEJLQXGPBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-17-14(16)15-13-10(2)8-9-11-6-4-5-7-12(11)13/h4-9H,3H2,1-2H3,(H,15,16).
What are the key properties of ethyl N-(2-methylnaphthalen-1-yl)carbamate?
ethyl N-(2-methylnaphthalen-1-yl)carbamate has a molecular weight of 229.28 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methylnaphthalen-1-yl)carbamate is sourced from PubChem (CID 171853862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).