methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate

C14H13NO4 — CID 138084079

IUPACmethyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate
SMILESCOC(=O)N(C(=O)OC)c1cccc2ccccc12
InChIInChI=1S/C14H13NO4/c1-18-13(16)15(14(17)19-2)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3
InChIKeyGDYQQBHDEWGKDG-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.18
Rot. Bonds1

About methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate

methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate (PubChem CID 138084079) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Namemethyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate
PubChem CID138084079
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Namemethyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate
SMILESCOC(=O)N(C(=O)OC)c1cccc2ccccc12
InChIInChI=1S/C14H13NO4/c1-18-13(16)15(14(17)19-2)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3
InChIKeyGDYQQBHDEWGKDG-UHFFFAOYSA-N
XLogP3.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enoyl]-N-naphthalen-1-ylcarbamate
CID 134922278
ethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate
CID 15532326
methyl N-hexoxysulfinyl-N-naphthalen-1-ylcarbamate
CID 23464810
propyl N-methyl-N-naphthalen-1-ylcarbamate
CID 71338053
3-amino-1-methyl-1-naphthalen-1-ylurea
CID 115192586
methyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate
CID 60572966
2-[amino(naphthalen-1-yl)amino]propanoic acid
CID 68905230
methyl N-(3-chloro-2-ethylphenyl)-N-methoxycarbonylcarbamate
CID 141144731
2-hydroxy-N-methyl-N-naphthalen-1-ylacetamide
CID 115139787
N-(cyclopropylmethyl)-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60573191
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
N,N-diethyl-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60570383

Frequently Asked Questions

What is the IUPAC name of methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate?
The IUPAC name of methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate (CID 138084079) is methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate.
What is the SMILES notation for methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate?
The canonical SMILES for methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate is COC(=O)N(C(=O)OC)c1cccc2ccccc12.
What is the InChIKey of methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate?
The InChIKey is GDYQQBHDEWGKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-13(16)15(14(17)19-2)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3.
What are the key properties of methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate?
methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate has a molecular weight of 259.26 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 138084079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).