N-(N-ethyl-C-methylcarbonimidoyl)butanamide

C8H16N2O — CID 131230384

IUPACN-(N-ethyl-C-methylcarbonimidoyl)butanamide
SMILESCCCC(=O)N/C(C)=N/CC
InChIInChI=1S/C8H16N2O/c1-4-6-8(11)10-7(3)9-5-2/h4-6H2,1-3H3,(H,9,10,11)
InChIKeyCLLLUSYTYVKDDN-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.34
Rot. Bonds3

About N-(N-ethyl-C-methylcarbonimidoyl)butanamide

N-(N-ethyl-C-methylcarbonimidoyl)butanamide (PubChem CID 131230384) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-(N-ethyl-C-methylcarbonimidoyl)butanamide.

Molecular Properties

Compound NameN-(N-ethyl-C-methylcarbonimidoyl)butanamide
PubChem CID131230384
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-(N-ethyl-C-methylcarbonimidoyl)butanamide
SMILESCCCC(=O)N/C(C)=N/CC
InChIInChI=1S/C8H16N2O/c1-4-6-8(11)10-7(3)9-5-2/h4-6H2,1-3H3,(H,9,10,11)
InChIKeyCLLLUSYTYVKDDN-UHFFFAOYSA-N
XLogP1.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(N-ethyl-C-methylcarbonimidoyl)butanamide?
The IUPAC name of N-(N-ethyl-C-methylcarbonimidoyl)butanamide (CID 131230384) is N-(N-ethyl-C-methylcarbonimidoyl)butanamide.
What is the SMILES notation for N-(N-ethyl-C-methylcarbonimidoyl)butanamide?
The canonical SMILES for N-(N-ethyl-C-methylcarbonimidoyl)butanamide is CCCC(=O)N/C(C)=N/CC.
What is the InChIKey of N-(N-ethyl-C-methylcarbonimidoyl)butanamide?
The InChIKey is CLLLUSYTYVKDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-6-8(11)10-7(3)9-5-2/h4-6H2,1-3H3,(H,9,10,11).
What are the key properties of N-(N-ethyl-C-methylcarbonimidoyl)butanamide?
N-(N-ethyl-C-methylcarbonimidoyl)butanamide has a molecular weight of 156.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N-ethyl-C-methylcarbonimidoyl)butanamide is sourced from PubChem (CID 131230384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).