2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide

C13H18N2O3 — CID 874422

IUPAC2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O3/c1-3-6-10(2)14-13(16)9-11-7-4-5-8-12(11)15(17)18/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyOJHACMXUDLSPDQ-SNVBAGLBSA-N
MW250.30 g/mol
LogP2.44
Rot. Bonds6

About 2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide

2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide (PubChem CID 874422) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide
PubChem CID874422
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O3/c1-3-6-10(2)14-13(16)9-11-7-4-5-8-12(11)15(17)18/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyOJHACMXUDLSPDQ-SNVBAGLBSA-N
XLogP2.44
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.44
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-(1-hydroxypropan-2-yl)-2-(2-nitrophenyl)acetamide
CID 43418816
2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 51157947
N-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide
CID 65191595
2-(2-nitrophenyl)-N-pentan-3-ylacetamide
CID 884922
N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide
CID 65192594
methyl (2R)-2-[4-(2-methylpentoxy)phenyl]-2-[[2-(2-nitrophenyl)acetyl]amino]acetate
CID 134130744
N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
CID 83030865
2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060695
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide
CID 42997256
N-hexyl-2-(2-nitrophenyl)acetamide
CID 3386287
N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
CID 51187449
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(2-nitrophenyl)acetamide
CID 103602216

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide (CID 874422) is 2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide is CCC[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide?
The InChIKey is OJHACMXUDLSPDQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-6-10(2)14-13(16)9-11-7-4-5-8-12(11)15(17)18/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,14,16)/t10-/m1/s1.
What are the key properties of 2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide?
2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide has a molecular weight of 250.30 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide is sourced from PubChem (CID 874422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).