2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide

C14H21N3O3 — CID 60854572

IUPAC2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1ccc(CC)c([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O3/c1-3-5-6-12(15)14(18)16-11-8-7-10(4-2)13(9-11)17(19)20/h7-9,12H,3-6,15H2,1-2H3,(H,16,18)
InChIKeyRDFJCCYQMGCQGD-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.61
Rot. Bonds7

About 2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide

2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide (PubChem CID 60854572) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide
PubChem CID60854572
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1ccc(CC)c([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O3/c1-3-5-6-12(15)14(18)16-11-8-7-10(4-2)13(9-11)17(19)20/h7-9,12H,3-6,15H2,1-2H3,(H,16,18)
InChIKeyRDFJCCYQMGCQGD-UHFFFAOYSA-N
XLogP2.61
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.61
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

2-amino-N-(4-ethyl-3-nitrophenyl)butanamide
CID 43713228
2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide
CID 62472666
(2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide
CID 103928945
(2S)-2-amino-5-(carbamoylamino)-N-[4-(hydroxymethyl)-3-nitrophenyl]pentanamide
CID 155321355
N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196522
N-(4-butyl-3-nitrophenyl)acetamide
CID 71393805
(2S)-2-amino-N-(4,5-dimethyl-2-nitrophenyl)hexanamide
CID 107145335
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)hexanamide
CID 107143998
2-amino-N-(4-methyl-3-nitrophenyl)-4-methylsulfonylbutanamide
CID 43101338
2-amino-N-(4-methyl-3-nitrophenyl)butanamide
CID 43649478
2-amino-N-(4-chloro-3-nitrophenyl)-5-methoxypentanamide
CID 81082778
(2S)-2-amino-N-(2,4-dimethyl-5-nitrophenyl)hexanamide
CID 107146529

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide?
The IUPAC name of 2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide (CID 60854572) is 2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide.
What is the SMILES notation for 2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide?
The canonical SMILES for 2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide is CCCCC(N)C(=O)Nc1ccc(CC)c([N+](=O)[O-])c1.
What is the InChIKey of 2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide?
The InChIKey is RDFJCCYQMGCQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-5-6-12(15)14(18)16-11-8-7-10(4-2)13(9-11)17(19)20/h7-9,12H,3-6,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide?
2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide has a molecular weight of 279.34 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide is sourced from PubChem (CID 60854572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).