[4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate

C18H22N2O6 — CID 14302870

IUPAC[4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate
SMILESCOc1c(OC)c(OC(=O)N(C)C)c2ccccc2c1OC(=O)N(C)C
InChIInChI=1S/C18H22N2O6/c1-19(2)17(21)25-13-11-9-7-8-10-12(11)14(26-18(22)20(3)4)16(24-6)15(13)23-5/h7-10H,1-6H3
InChIKeyADBAIQLXKUCIIV-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.98
Rot. Bonds4

About [4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate

[4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate (PubChem CID 14302870) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is [4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate
PubChem CID14302870
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Name[4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate
SMILESCOc1c(OC)c(OC(=O)N(C)C)c2ccccc2c1OC(=O)N(C)C
InChIInChI=1S/C18H22N2O6/c1-19(2)17(21)25-13-11-9-7-8-10-12(11)14(26-18(22)20(3)4)16(24-6)15(13)23-5/h7-10H,1-6H3
InChIKeyADBAIQLXKUCIIV-UHFFFAOYSA-N
XLogP2.98
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate
CID 14302873
1-(10-methoxyanthracen-9-yl)ethanone
CID 176915779
1,2-benzoxazol-3-yl N,N-dimethylcarbamate
CID 2726312
[4-(cyclohexanecarbonyloxy)-2,3-dimethoxynaphthalen-1-yl] cyclohexanecarboxylate
CID 19886717
(2-amino-6-methylphenyl) N,N-dimethylcarbamate
CID 131207405
[2-methoxy-6-(3-oxo-3-phenylprop-1-enyl)phenyl] N,N-dimethylcarbamate
CID 4901706
(4-hydroxy-2-methoxy-3-methylnaphthalen-1-yl) acetate
CID 19873003
[2-(dimethylcarbamoyloxy)-3-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium
CID 135121841
(4-acetyloxy-2-butan-2-yl-3-methoxynaphthalen-1-yl) acetate
CID 19872930
[2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate
CID 518063
[1-[2-(dimethylcarbamothioyloxy)naphthalen-1-yl]naphthalen-2-yl] N,N-dimethylcarbamate
CID 15321081
(4-acetyloxy-2,3-dimethoxy-6-phenylnaphthalen-1-yl) acetate
CID 23038229

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate?
The IUPAC name of [4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate (CID 14302870) is [4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate?
The canonical SMILES for [4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate is COc1c(OC)c(OC(=O)N(C)C)c2ccccc2c1OC(=O)N(C)C.
What is the InChIKey of [4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate?
The InChIKey is ADBAIQLXKUCIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-19(2)17(21)25-13-11-9-7-8-10-12(11)14(26-18(22)20(3)4)16(24-6)15(13)23-5/h7-10H,1-6H3.
What are the key properties of [4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate?
[4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate has a molecular weight of 362.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 14302870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).