N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide

C15H22N2O4 — CID 103843631

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide
SMILESCCC(CC)(CO)CNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O4/c1-3-15(4-2,11-18)10-16-14(19)9-12-7-5-6-8-13(12)17(20)21/h5-8,18H,3-4,9-11H2,1-2H3,(H,16,19)
InChIKeyVJXDOOMSJZAMLC-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.05
Rot. Bonds8

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide (PubChem CID 103843631) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide
PubChem CID103843631
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide
SMILESCCC(CC)(CO)CNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O4/c1-3-15(4-2,11-18)10-16-14(19)9-12-7-5-6-8-13(12)17(20)21/h5-8,18H,3-4,9-11H2,1-2H3,(H,16,19)
InChIKeyVJXDOOMSJZAMLC-UHFFFAOYSA-N
XLogP2.05
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
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

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(2-nitrophenyl)acetamide
CID 103602216
N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 65110200
2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-nitrobenzamide
CID 106252009
N-hexyl-2-(2-nitrophenyl)acetamide
CID 3386287
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide
CID 106252214
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide
CID 24646123
N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
CID 83030865
N-[3-(ethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 43601616
2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 874422
N-[2-(chloromethyl)-2-ethylbutyl]-2-nitrobenzamide
CID 106253832
3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-nitrobenzamide
CID 104864845
2-(2-nitrophenyl)-N-pentan-3-ylacetamide
CID 884922

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide (CID 103843631) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide is CCC(CC)(CO)CNC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is VJXDOOMSJZAMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-15(4-2,11-18)10-16-14(19)9-12-7-5-6-8-13(12)17(20)21/h5-8,18H,3-4,9-11H2,1-2H3,(H,16,19).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 294.35 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 103843631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).