methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate

C10H12N2O6 — CID 110459513

IUPACmethyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate
SMILESCOC(=O)Nc1cc(OC)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O6/c1-16-8-4-6(11-10(13)18-3)7(12(14)15)5-9(8)17-2/h4-5H,1-3H3,(H,11,13)
InChIKeySAWBQQJIBSZVAU-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.79
Rot. Bonds4

About methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate

methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate (PubChem CID 110459513) has the molecular formula C10H12N2O6 and a molecular weight of 256.21 g/mol. Its IUPAC name is methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate
PubChem CID110459513
Molecular FormulaC10H12N2O6
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Namemethyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate
SMILESCOC(=O)Nc1cc(OC)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O6/c1-16-8-4-6(11-10(13)18-3)7(12(14)15)5-9(8)17-2/h4-5H,1-3H3,(H,11,13)
InChIKeySAWBQQJIBSZVAU-UHFFFAOYSA-N
XLogP1.79
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-dimethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 110443180
3-(4,5-dimethoxy-2-nitrophenyl)-1,1-diethylurea
CID 110445111
1-(4,5-dimethoxy-2-nitrophenyl)-3-phenylurea
CID 110446745
(4,5-dimethoxy-2-nitrophenyl)hydrazine
CID 11435818
1-(4,5-dimethoxy-2-nitroanilino)-2-methylpropan-2-ol
CID 83008395
methyl N-(2,4,5-trimethoxyphenyl)carbamate
CID 115190416
tert-butyl N-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]carbamate
CID 156778145
2-(4,5-dimethoxy-2-nitroanilino)-2-methylpropanamide
CID 83007846
N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide
CID 71409389
N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide
CID 110444205
4,5-dimethoxy-2-nitro-N-propylaniline
CID 83008389
2-(4,5-dimethoxy-2-nitroanilino)ethylurea
CID 83113274

Frequently Asked Questions

What is the IUPAC name of methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate?
The IUPAC name of methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate (CID 110459513) is methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate.
What is the SMILES notation for methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate?
The canonical SMILES for methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate is COC(=O)Nc1cc(OC)c(OC)cc1[N+](=O)[O-].
What is the InChIKey of methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate?
The InChIKey is SAWBQQJIBSZVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6/c1-16-8-4-6(11-10(13)18-3)7(12(14)15)5-9(8)17-2/h4-5H,1-3H3,(H,11,13).
What are the key properties of methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate?
methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate has a molecular weight of 256.21 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate is sourced from PubChem (CID 110459513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).