ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate

C12H14N2O7 — CID 7931792

IUPACethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate
SMILESCCOC(=O)NC(=O)COc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C12H14N2O7/c1-3-20-12(16)13-11(15)7-21-10-6-8(14(17)18)4-5-9(10)19-2/h4-6H,3,7H2,1-2H3,(H,13,15,16)
InChIKeyDKILDUIAYYKAOB-UHFFFAOYSA-N
MW298.25 g/mol
LogP1.25
Rot. Bonds6

About ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate

ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate (PubChem CID 7931792) has the molecular formula C12H14N2O7 and a molecular weight of 298.25 g/mol. Its IUPAC name is ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate
PubChem CID7931792
Molecular FormulaC12H14N2O7
Molecular Weight298.25 g/mol
Exact Mass298.08
IUPAC Nameethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate
SMILESCCOC(=O)NC(=O)COc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C12H14N2O7/c1-3-20-12(16)13-11(15)7-21-10-6-8(14(17)18)4-5-9(10)19-2/h4-6H,3,7H2,1-2H3,(H,13,15,16)
InChIKeyDKILDUIAYYKAOB-UHFFFAOYSA-N
XLogP1.25
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide
CID 8566633
N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 51216237
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)-4-nitrophenoxy]acetate
CID 12678067
N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931889
2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide
CID 7931749
N-cyclohexyl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931962
4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 43215127
(2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide
CID 8566597
N-(3-cyanothiophen-2-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 27271462
ethyl 2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 16958673
1-(2,5-dimethylphenyl)-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 40602594

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate?
The IUPAC name of ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate (CID 7931792) is ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate?
The canonical SMILES for ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate is CCOC(=O)NC(=O)COc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate?
The InChIKey is DKILDUIAYYKAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O7/c1-3-20-12(16)13-11(15)7-21-10-6-8(14(17)18)4-5-9(10)19-2/h4-6H,3,7H2,1-2H3,(H,13,15,16).
What are the key properties of ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate?
ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate has a molecular weight of 298.25 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate is sourced from PubChem (CID 7931792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).