ethyl N-(4-methoxy-3-nitrophenyl)carbamate

C10H12N2O5 — CID 2306918

IUPACethyl N-(4-methoxy-3-nitrophenyl)carbamate
SMILESCCOC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O5/c1-3-17-10(13)11-7-4-5-9(16-2)8(6-7)12(14)15/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyPFRVFZBTJQGCRJ-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.17
Rot. Bonds4

About ethyl N-(4-methoxy-3-nitrophenyl)carbamate

ethyl N-(4-methoxy-3-nitrophenyl)carbamate (PubChem CID 2306918) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is ethyl N-(4-methoxy-3-nitrophenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-methoxy-3-nitrophenyl)carbamate
PubChem CID2306918
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Nameethyl N-(4-methoxy-3-nitrophenyl)carbamate
SMILESCCOC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O5/c1-3-17-10(13)11-7-4-5-9(16-2)8(6-7)12(14)15/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyPFRVFZBTJQGCRJ-UHFFFAOYSA-N
XLogP2.17
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-methoxy-3-nitrophenyl)carbamate?
The IUPAC name of ethyl N-(4-methoxy-3-nitrophenyl)carbamate (CID 2306918) is ethyl N-(4-methoxy-3-nitrophenyl)carbamate.
What is the SMILES notation for ethyl N-(4-methoxy-3-nitrophenyl)carbamate?
The canonical SMILES for ethyl N-(4-methoxy-3-nitrophenyl)carbamate is CCOC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of ethyl N-(4-methoxy-3-nitrophenyl)carbamate?
The InChIKey is PFRVFZBTJQGCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-3-17-10(13)11-7-4-5-9(16-2)8(6-7)12(14)15/h4-6H,3H2,1-2H3,(H,11,13).
What are the key properties of ethyl N-(4-methoxy-3-nitrophenyl)carbamate?
ethyl N-(4-methoxy-3-nitrophenyl)carbamate has a molecular weight of 240.22 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-methoxy-3-nitrophenyl)carbamate is sourced from PubChem (CID 2306918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).