N,N-diethylbutanamide;nitric acid

C8H18N2O4 — CID 172729666

IUPACN,N-diethylbutanamide;nitric acid
SMILESCCCC(=O)N(CC)CC.O=[N+]([O-])O
InChIInChI=1S/C8H17NO.HNO3/c1-4-7-8(10)9(5-2)6-3;2-1(3)4/h4-7H2,1-3H3;(H,2,3,4)
InChIKeyHPUMGVJTIHSOGK-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.31
Rot. Bonds4

About N,N-diethylbutanamide;nitric acid

N,N-diethylbutanamide;nitric acid (PubChem CID 172729666) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is N,N-diethylbutanamide;nitric acid.

Molecular Properties

Compound NameN,N-diethylbutanamide;nitric acid
PubChem CID172729666
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC NameN,N-diethylbutanamide;nitric acid
SMILESCCCC(=O)N(CC)CC.O=[N+]([O-])O
InChIInChI=1S/C8H17NO.HNO3/c1-4-7-8(10)9(5-2)6-3;2-1(3)4/h4-7H2,1-3H3;(H,2,3,4)
InChIKeyHPUMGVJTIHSOGK-UHFFFAOYSA-N
XLogP1.31
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.31
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethylbutanamide;nitric acid?
The IUPAC name of N,N-diethylbutanamide;nitric acid (CID 172729666) is N,N-diethylbutanamide;nitric acid.
What is the SMILES notation for N,N-diethylbutanamide;nitric acid?
The canonical SMILES for N,N-diethylbutanamide;nitric acid is CCCC(=O)N(CC)CC.O=[N+]([O-])O.
What is the InChIKey of N,N-diethylbutanamide;nitric acid?
The InChIKey is HPUMGVJTIHSOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.HNO3/c1-4-7-8(10)9(5-2)6-3;2-1(3)4/h4-7H2,1-3H3;(H,2,3,4).
What are the key properties of N,N-diethylbutanamide;nitric acid?
N,N-diethylbutanamide;nitric acid has a molecular weight of 206.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylbutanamide;nitric acid is sourced from PubChem (CID 172729666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).