N-[(2R)-2-ethylhexyl]-2-(4-nitrophenyl)acetamide

C16H24N2O3 — CID 40579389

IUPACN-[(2R)-2-ethylhexyl]-2-(4-nitrophenyl)acetamide
SMILESCCCCC(CC)CNC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H24N2O3/c1-3-5-6-13(4-2)12-17-16(19)11-14-7-9-15(10-8-14)18(20)21/h7-10,13H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKeyYZFJBBCPINLPBJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.47
Rot. Bonds9

About N-[(2R)-2-ethylhexyl]-2-(4-nitrophenyl)acetamide

N-[(2R)-2-ethylhexyl]-2-(4-nitrophenyl)acetamide (PubChem CID 40579389) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(2R)-2-ethylhexyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-ethylhexyl]-2-(4-nitrophenyl)acetamide
PubChem CID40579389
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(2R)-2-ethylhexyl]-2-(4-nitrophenyl)acetamide
SMILESCCCCC(CC)CNC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H24N2O3/c1-3-5-6-13(4-2)12-17-16(19)11-14-7-9-15(10-8-14)18(20)21/h7-10,13H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKeyYZFJBBCPINLPBJ-UHFFFAOYSA-N
XLogP3.47
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
CID 83058575
2-chloro-N-[(2S)-2-ethylhexyl]-4-nitrobenzamide
CID 2286765
(2S)-2-[[2-(4-nitrophenyl)acetyl]amino]hexanoic acid
CID 107143905
N-(3-hydroxy-2-methylpropyl)-2-(4-nitrophenyl)acetamide
CID 65032219
2-ethylhexyl 4-nitrobenzoate
CID 591313
N-(4-chloro-2-ethylbutyl)-4-nitrobenzamide
CID 114306473
2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride
CID 119811875
1-(2-ethylhexyl)-3-(3-nitrophenyl)thiourea
CID 19651738
2-(4-nitrophenyl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9163121
4-butyl-N-(2-ethylhexyl)benzamide
CID 91723782
N-[(2R)-2-ethylhexyl]-2-naphthalen-1-ylacetamide
CID 7314092
2-ethyl-N-[2-(4-nitrophenoxy)ethyl]hexan-1-amine
CID 107820074

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-ethylhexyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[(2R)-2-ethylhexyl]-2-(4-nitrophenyl)acetamide (CID 40579389) is N-[(2R)-2-ethylhexyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[(2R)-2-ethylhexyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[(2R)-2-ethylhexyl]-2-(4-nitrophenyl)acetamide is CCCCC(CC)CNC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(2R)-2-ethylhexyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is YZFJBBCPINLPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-5-6-13(4-2)12-17-16(19)11-14-7-9-15(10-8-14)18(20)21/h7-10,13H,3-6,11-12H2,1-2H3,(H,17,19).
What are the key properties of N-[(2R)-2-ethylhexyl]-2-(4-nitrophenyl)acetamide?
N-[(2R)-2-ethylhexyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-ethylhexyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 40579389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).