2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide

C15H21N3O4 — CID 86925247

IUPAC2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide
SMILESCCc1ccc(NC(=O)C(NC(C)=O)C(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O4/c1-5-11-6-7-12(8-13(11)18(21)22)17-15(20)14(9(2)3)16-10(4)19/h6-9,14H,5H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyWRCFMHIFULUHLH-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.26
Rot. Bonds6

About 2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide

2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide (PubChem CID 86925247) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide
PubChem CID86925247
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide
SMILESCCc1ccc(NC(=O)C(NC(C)=O)C(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O4/c1-5-11-6-7-12(8-13(11)18(21)22)17-15(20)14(9(2)3)16-10(4)19/h6-9,14H,5H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyWRCFMHIFULUHLH-UHFFFAOYSA-N
XLogP2.26
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.26
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-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196522
(2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide
CID 103928945
2-amino-N-(4-ethyl-3-nitrophenyl)butanamide
CID 43713228
1-(4-ethyl-3-nitrophenyl)-3-(3-hydroxy-4-methylpentyl)urea
CID 111473687
2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide
CID 60854572
(2S)-N-(4-fluoro-3-nitrophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 9207739
N-(4-butyl-3-nitrophenyl)acetamide
CID 71393805
N-[1-(4-ethyl-3-nitroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 86925253
4-(4-ethyl-3-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992988
2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide
CID 62472666
2-(4-ethyl-3-nitroanilino)propanoic acid
CID 66172517
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide (CID 86925247) is 2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide is CCc1ccc(NC(=O)C(NC(C)=O)C(C)C)cc1[N+](=O)[O-].
What is the InChIKey of 2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide?
The InChIKey is WRCFMHIFULUHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-5-11-6-7-12(8-13(11)18(21)22)17-15(20)14(9(2)3)16-10(4)19/h6-9,14H,5H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of 2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide?
2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide has a molecular weight of 307.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide is sourced from PubChem (CID 86925247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).