ethyl N-(5-methoxy-2-nitrophenyl)-N-methylcarbamate

C11H14N2O5 — CID 141127890

IUPACethyl N-(5-methoxy-2-nitrophenyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)c1cc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O5/c1-4-18-11(14)12(2)10-7-8(17-3)5-6-9(10)13(15)16/h5-7H,4H2,1-3H3
InChIKeyREBWYUSJDDNSBI-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.20
Rot. Bonds4

About ethyl N-(5-methoxy-2-nitrophenyl)-N-methylcarbamate

ethyl N-(5-methoxy-2-nitrophenyl)-N-methylcarbamate (PubChem CID 141127890) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is ethyl N-(5-methoxy-2-nitrophenyl)-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-(5-methoxy-2-nitrophenyl)-N-methylcarbamate
PubChem CID141127890
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Nameethyl N-(5-methoxy-2-nitrophenyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)c1cc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O5/c1-4-18-11(14)12(2)10-7-8(17-3)5-6-9(10)13(15)16/h5-7H,4H2,1-3H3
InChIKeyREBWYUSJDDNSBI-UHFFFAOYSA-N
XLogP2.20
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

5-methoxy-N,N-dimethyl-2-nitroaniline
CID 19827456
ethyl 2-(4-methoxy-N-methyl-2-nitroanilino)acetate
CID 62006592
5-methoxy-2-nitro-N,N-diphenylaniline
CID 67365433
diethyl 2-[dideuterio-(5-methoxy-2-nitrophenyl)methyl]propanedioate
CID 59504548
tert-butyl N-[5-[4-(aminomethyl)phenoxy]-2-nitrophenyl]-N-methylcarbamate
CID 86688785
methyl 3-(dimethylamino)-2-(5-methoxy-2-nitrophenyl)propanoate
CID 10924000
tert-butyl N-methyl-N-[5-(2-methylbutoxy)-2-nitrophenyl]carbamate
CID 174705247
[5-(3,4-dimethylphenoxy)-2-nitrophenyl]-methylcarbamic acid
CID 68662317
tert-butyl N-methyl-N-(2-nitro-5-prop-2-enoxyphenyl)carbamate
CID 139987937
ethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate
CID 62004608
ethyl 2-fluoro-3-(5-methoxy-2-nitrophenyl)prop-2-enoate
CID 175399041
1-[(5-methoxy-N-methyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 115868661

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-methoxy-2-nitrophenyl)-N-methylcarbamate?
The IUPAC name of ethyl N-(5-methoxy-2-nitrophenyl)-N-methylcarbamate (CID 141127890) is ethyl N-(5-methoxy-2-nitrophenyl)-N-methylcarbamate.
What is the SMILES notation for ethyl N-(5-methoxy-2-nitrophenyl)-N-methylcarbamate?
The canonical SMILES for ethyl N-(5-methoxy-2-nitrophenyl)-N-methylcarbamate is CCOC(=O)N(C)c1cc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of ethyl N-(5-methoxy-2-nitrophenyl)-N-methylcarbamate?
The InChIKey is REBWYUSJDDNSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-4-18-11(14)12(2)10-7-8(17-3)5-6-9(10)13(15)16/h5-7H,4H2,1-3H3.
What are the key properties of ethyl N-(5-methoxy-2-nitrophenyl)-N-methylcarbamate?
ethyl N-(5-methoxy-2-nitrophenyl)-N-methylcarbamate has a molecular weight of 254.24 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-methoxy-2-nitrophenyl)-N-methylcarbamate is sourced from PubChem (CID 141127890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).