ethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate

C12H14N2O5 — CID 54920998

IUPACethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N2O5/c1-3-19-10(15)7-13-12(16)11-8(2)5-4-6-9(11)14(17)18/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyUGSASRQSOQNSQN-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.20
Rot. Bonds5

About ethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate

ethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate (PubChem CID 54920998) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate
PubChem CID54920998
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Nameethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N2O5/c1-3-19-10(15)7-13-12(16)11-8(2)5-4-6-9(11)14(17)18/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyUGSASRQSOQNSQN-UHFFFAOYSA-N
XLogP1.20
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.20
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

N-(3-amino-2,2-difluoropropyl)-2-methyl-6-nitrobenzamide
CID 114383468
2,2-dimethyl-3-[(2-methyl-6-nitrobenzoyl)amino]propanoic acid
CID 115427328
N-(2-hydroxybutyl)-2-methyl-6-nitrobenzamide
CID 113492598
N-hexadecyl-2-methyl-6-nitrobenzamide
CID 173399090
ethyl 2-(2,6-dinitroanilino)acetate
CID 14002039
2-methyl-N-(3-methylbut-2-enyl)-6-nitrobenzamide
CID 119049900
N-(4-bromobutyl)-2-methyl-6-nitrobenzamide
CID 106845770
N-(3-cyanopentan-3-yl)-2-methyl-6-nitrobenzamide
CID 61120989
2-[[(2-ethoxy-2-oxoethyl)amino]methyl]-6-nitrobenzoic acid
CID 103239583
methyl 3-[ethyl-(2-methyl-6-nitrobenzoyl)amino]propanoate
CID 61008446
ethyl 4-[(2-chloro-6-nitrobenzoyl)amino]butanoate
CID 64579541
propyl 2-methyl-6-nitrobenzoate
CID 43416519

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate (CID 54920998) is ethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1c(C)cccc1[N+](=O)[O-].
What is the InChIKey of ethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate?
The InChIKey is UGSASRQSOQNSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-3-19-10(15)7-13-12(16)11-8(2)5-4-6-9(11)14(17)18/h4-6H,3,7H2,1-2H3,(H,13,16).
What are the key properties of ethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate?
ethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate has a molecular weight of 266.25 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate is sourced from PubChem (CID 54920998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).