ethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate

C18H22N2O4 — CID 66870694

IUPACethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1cccc2c(N(C)C(=O)OCC)cccc12
InChIInChI=1S/C18H22N2O4/c1-5-23-17(21)19(3)15-11-7-10-14-13(15)9-8-12-16(14)20(4)18(22)24-6-2/h7-12H,5-6H2,1-4H3
InChIKeyKXNQOZHKYNSAFU-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.03
Rot. Bonds4

About ethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate

ethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate (PubChem CID 66870694) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is ethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate
PubChem CID66870694
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nameethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1cccc2c(N(C)C(=O)OCC)cccc12
InChIInChI=1S/C18H22N2O4/c1-5-23-17(21)19(3)15-11-7-10-14-13(15)9-8-12-16(14)20(4)18(22)24-6-2/h7-12H,5-6H2,1-4H3
InChIKeyKXNQOZHKYNSAFU-UHFFFAOYSA-N
XLogP4.03
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propyl N-methyl-N-naphthalen-1-ylcarbamate
CID 71338053
ethyl N-(2-carbamoylphenyl)-N-methylcarbamate
CID 174425529
chloro 2-[ethoxycarbonyl(methyl)amino]benzoate
CID 174373388
ethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate
CID 15532326
2-chloro-N-(5-hydroxynaphthalen-1-yl)-N-methylacetamide
CID 53416815
ethyl N-(5-isocyanato-2-methylphenyl)-N-methylcarbamate
CID 90338881
ethyl N-(4-bromophenyl)-N-methylcarbamate
CID 131862849
2-hydroxy-N-methyl-N-naphthalen-1-ylacetamide
CID 115139787
ethyl N-[bis(sulfanyl)amino]-N-(2,3-dimethylphenyl)carbamate
CID 57128479
diethyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanedioate
CID 3860107
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate
CID 173195288

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate?
The IUPAC name of ethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate (CID 66870694) is ethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate is CCOC(=O)N(C)c1cccc2c(N(C)C(=O)OCC)cccc12.
What is the InChIKey of ethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate?
The InChIKey is KXNQOZHKYNSAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-5-23-17(21)19(3)15-11-7-10-14-13(15)9-8-12-16(14)20(4)18(22)24-6-2/h7-12H,5-6H2,1-4H3.
What are the key properties of ethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate?
ethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate has a molecular weight of 330.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate is sourced from PubChem (CID 66870694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).