N-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide

C12H15N3O5 — CID 8586850

IUPACN-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
SMILESCNC(=O)CN(C)C(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O5/c1-13-11(16)7-14(2)12(17)8-20-10-5-3-4-9(6-10)15(18)19/h3-6H,7-8H2,1-2H3,(H,13,16)
InChIKeyFXWUXICNYIYFGR-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.18
Rot. Bonds6

About N-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide

N-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide (PubChem CID 8586850) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is N-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
PubChem CID8586850
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC NameN-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
SMILESCNC(=O)CN(C)C(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O5/c1-13-11(16)7-14(2)12(17)8-20-10-5-3-4-9(6-10)15(18)19/h3-6H,7-8H2,1-2H3,(H,13,16)
InChIKeyFXWUXICNYIYFGR-UHFFFAOYSA-N
XLogP0.18
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.18
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-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 8586964
N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 39093599
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 55403286
N-methoxy-N-methyl-2-(3-nitrophenoxy)acetamide
CID 55027939
N-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide
CID 30381222
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitrophenoxy)acetamide
CID 63929130
N-methyl-2-(3-nitrophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64511055
N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide
CID 9012039
2-[ethyl-[2-(3-nitrophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 32711134
N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide
CID 7865052
1-methoxy-3-(3-nitrophenoxy)propan-2-one
CID 107508001
2-[2-methoxyethyl-[2-(3-nitrophenoxy)acetyl]amino]acetic acid
CID 119188944

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide?
The IUPAC name of N-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide (CID 8586850) is N-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide is CNC(=O)CN(C)C(=O)COc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide?
The InChIKey is FXWUXICNYIYFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-13-11(16)7-14(2)12(17)8-20-10-5-3-4-9(6-10)15(18)19/h3-6H,7-8H2,1-2H3,(H,13,16).
What are the key properties of N-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide?
N-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide has a molecular weight of 281.27 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 8586850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).