methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate

C14H14N2O4 — CID 4594667

IUPACmethyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
SMILESCOC(=O)Nc1cccc2c(NC(=O)OC)cccc12
InChIInChI=1S/C14H14N2O4/c1-19-13(17)15-11-7-3-6-10-9(11)5-4-8-12(10)16-14(18)20-2/h3-8H,1-2H3,(H,15,17)(H,16,18)
InChIKeyDIDUBGFFSUEEGU-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.20
Rot. Bonds2

About methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate

methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate (PubChem CID 4594667) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
PubChem CID4594667
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namemethyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
SMILESCOC(=O)Nc1cccc2c(NC(=O)OC)cccc12
InChIInChI=1S/C14H14N2O4/c1-19-13(17)15-11-7-3-6-10-9(11)5-4-8-12(10)16-14(18)20-2/h3-8H,1-2H3,(H,15,17)(H,16,18)
InChIKeyDIDUBGFFSUEEGU-UHFFFAOYSA-N
XLogP3.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-quinolin-5-ylcarbamate
CID 110734012
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4-methoxybutyl N-[5-(4-methoxybutoxycarbonylamino)naphthalen-1-yl]carbamate
CID 86204036
3-(methoxycarbonylamino)-2-methylbenzoic acid
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methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
methyl N-(2-nitrosophenyl)carbamate
CID 45122951
tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate
CID 11739198
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
CID 121232357
methyl N-[3-[(2-chloroacetyl)amino]-2-methylphenyl]carbamate
CID 166415130
methyl N-(1-hydroxyindol-3-yl)carbamate
CID 102153081
methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate
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CID 23402332

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate?
The IUPAC name of methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate (CID 4594667) is methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate.
What is the SMILES notation for methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate?
The canonical SMILES for methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate is COC(=O)Nc1cccc2c(NC(=O)OC)cccc12.
What is the InChIKey of methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate?
The InChIKey is DIDUBGFFSUEEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-19-13(17)15-11-7-3-6-10-9(11)5-4-8-12(10)16-14(18)20-2/h3-8H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate?
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate has a molecular weight of 274.28 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate is sourced from PubChem (CID 4594667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).