ethyl N-(4-ethoxy-2-nitrophenyl)carbamate

C11H14N2O5 — CID 4110254

IUPACethyl N-(4-ethoxy-2-nitrophenyl)carbamate
SMILESCCOC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O5/c1-3-17-8-5-6-9(10(7-8)13(15)16)12-11(14)18-4-2/h5-7H,3-4H2,1-2H3,(H,12,14)
InChIKeyXTYWMTWPDCMSBD-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.56
Rot. Bonds5

About ethyl N-(4-ethoxy-2-nitrophenyl)carbamate

ethyl N-(4-ethoxy-2-nitrophenyl)carbamate (PubChem CID 4110254) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is ethyl N-(4-ethoxy-2-nitrophenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-ethoxy-2-nitrophenyl)carbamate
PubChem CID4110254
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Nameethyl N-(4-ethoxy-2-nitrophenyl)carbamate
SMILESCCOC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O5/c1-3-17-8-5-6-9(10(7-8)13(15)16)12-11(14)18-4-2/h5-7H,3-4H2,1-2H3,(H,12,14)
InChIKeyXTYWMTWPDCMSBD-UHFFFAOYSA-N
XLogP2.56
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.56
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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Related Compounds

2-(4-ethoxy-2-nitroanilino)ethene-1,1,2-tricarbonitrile
CID 168609319
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
2-amino-N-(4-ethoxy-2-nitrophenyl)-3-methylbutanamide
CID 60780427
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide
CID 3375045
ethyl N-(4-methyl-2-nitrophenyl)carbamate;4-methyl-2-nitroaniline
CID 87985494
ethyl N-[4-(ethylamino)-2-nitrophenyl]carbamate
CID 144511742
4-(4-ethoxy-2-nitroanilino)-4-oxobut-2-enoate
CID 7175755
1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide
CID 115452553
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-ethoxy-2-nitrophenyl)carbamate?
The IUPAC name of ethyl N-(4-ethoxy-2-nitrophenyl)carbamate (CID 4110254) is ethyl N-(4-ethoxy-2-nitrophenyl)carbamate.
What is the SMILES notation for ethyl N-(4-ethoxy-2-nitrophenyl)carbamate?
The canonical SMILES for ethyl N-(4-ethoxy-2-nitrophenyl)carbamate is CCOC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-].
What is the InChIKey of ethyl N-(4-ethoxy-2-nitrophenyl)carbamate?
The InChIKey is XTYWMTWPDCMSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-3-17-8-5-6-9(10(7-8)13(15)16)12-11(14)18-4-2/h5-7H,3-4H2,1-2H3,(H,12,14).
What are the key properties of ethyl N-(4-ethoxy-2-nitrophenyl)carbamate?
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate has a molecular weight of 254.24 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-ethoxy-2-nitrophenyl)carbamate is sourced from PubChem (CID 4110254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).