N-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide

C15H19N3O4 — CID 75389379

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1OCC(=O)NC(C)(C#N)C(C)C
InChIInChI=1S/C15H19N3O4/c1-10(2)15(4,9-16)17-14(19)8-22-13-6-5-12(18(20)21)7-11(13)3/h5-7,10H,8H2,1-4H3,(H,17,19)
InChIKeyWMMCVGPZLCSGNA-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.34
Rot. Bonds6

About N-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide

N-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide (PubChem CID 75389379) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide
PubChem CID75389379
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1OCC(=O)NC(C)(C#N)C(C)C
InChIInChI=1S/C15H19N3O4/c1-10(2)15(4,9-16)17-14(19)8-22-13-6-5-12(18(20)21)7-11(13)3/h5-7,10H,8H2,1-4H3,(H,17,19)
InChIKeyWMMCVGPZLCSGNA-UHFFFAOYSA-N
XLogP2.34
TPSA105.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406582
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2-cyanophenoxy)acetamide
CID 2651244
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406605
N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 2072497
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763278
2-amino-2-methyl-4-(2-methyl-4-nitrophenoxy)butanenitrile
CID 113369585
2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7867252
2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3477288
N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406594

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide (CID 75389379) is N-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide is Cc1cc([N+](=O)[O-])ccc1OCC(=O)NC(C)(C#N)C(C)C.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide?
The InChIKey is WMMCVGPZLCSGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-10(2)15(4,9-16)17-14(19)8-22-13-6-5-12(18(20)21)7-11(13)3/h5-7,10H,8H2,1-4H3,(H,17,19).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide has a molecular weight of 305.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide is sourced from PubChem (CID 75389379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).