N-ethyl-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide

C13H19N3O3 — CID 8682599

IUPACN-ethyl-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide
SMILESCCNC(=O)CN(CC)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-3-14-13(17)10-15(4-2)9-11-7-5-6-8-12(11)16(18)19/h5-8H,3-4,9-10H2,1-2H3,(H,14,17)
InChIKeyBMUFLFKDRZQBPE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.55
Rot. Bonds7

About N-ethyl-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide

N-ethyl-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide (PubChem CID 8682599) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide
PubChem CID8682599
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-ethyl-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide
SMILESCCNC(=O)CN(CC)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-3-14-13(17)10-15(4-2)9-11-7-5-6-8-12(11)16(18)19/h5-8H,3-4,9-10H2,1-2H3,(H,14,17)
InChIKeyBMUFLFKDRZQBPE-UHFFFAOYSA-N
XLogP1.55
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[ethyl-[(2-nitrophenyl)methyl]amino]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 51940629
N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide
CID 47028227
methyl 2-[(2-nitrophenyl)methyl-propylamino]acetate
CID 61035687
2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 82986439
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 41439050
N-ethyl-2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]acetamide
CID 107352926
2-[ethyl-[2-(2-nitrophenyl)ethyl]amino]acetic acid
CID 63061790
2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]acetamide
CID 107353155
3-[ethyl-[(2-nitrophenyl)methyl]amino]propanenitrile
CID 54942473
N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 70295850
N-ethyl-2-[ethyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]acetamide
CID 40700700
2-[(2-amino-3-nitrophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 107351087

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide (CID 8682599) is N-ethyl-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide is CCNC(=O)CN(CC)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide?
The InChIKey is BMUFLFKDRZQBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-14-13(17)10-15(4-2)9-11-7-5-6-8-12(11)16(18)19/h5-8H,3-4,9-10H2,1-2H3,(H,14,17).
What are the key properties of N-ethyl-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide?
N-ethyl-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide has a molecular weight of 265.31 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide is sourced from PubChem (CID 8682599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).