N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide

C13H18N2O4 — CID 7865052

IUPACN-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide
SMILESCC(C)[C@@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H18N2O4/c1-9(2)10(3)14-13(16)8-19-12-6-4-5-11(7-12)15(17)18/h4-7,9-10H,8H2,1-3H3,(H,14,16)/t10-/m1/s1
InChIKeyGPQZNECWUXVMDP-SNVBAGLBSA-N
MW266.30 g/mol
LogP2.13
Rot. Bonds6

About N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide

N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide (PubChem CID 7865052) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide
PubChem CID7865052
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide
SMILESCC(C)[C@@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H18N2O4/c1-9(2)10(3)14-13(16)8-19-12-6-4-5-11(7-12)15(17)18/h4-7,9-10H,8H2,1-3H3,(H,14,16)/t10-/m1/s1
InChIKeyGPQZNECWUXVMDP-SNVBAGLBSA-N
XLogP2.13
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.13
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-[[2-(3-nitrophenoxy)acetyl]amino]butanoic acid
CID 43469185
(2S)-2-[[2-(3-nitrophenoxy)acetyl]amino]hexanoic acid
CID 120615208
N-(1-hydroxypentan-3-yl)-2-(3-nitrophenoxy)acetamide
CID 115735196
2-(3-nitrophenoxy)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7865569
methyl (2R)-2-[[2-(3-nitrophenoxy)acetyl]amino]-3-phenylpropanoate
CID 8587328
3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43214257
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365748
2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 51141697
N-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide
CID 103771368
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3-nitrophenoxy)acetamide
CID 31675916
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide
CID 43500706
N-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide (CID 7865052) is N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide is CC(C)[C@@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide?
The InChIKey is GPQZNECWUXVMDP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(2)10(3)14-13(16)8-19-12-6-4-5-11(7-12)15(17)18/h4-7,9-10H,8H2,1-3H3,(H,14,16)/t10-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide?
N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide has a molecular weight of 266.30 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 7865052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).