N-butanimidoylbutanamide

C8H16N2O — CID 173088619

IUPACN-butanimidoylbutanamide
SMILES[H]/N=C(\CCC)NC(=O)CCC
InChIInChI=1S/C8H16N2O/c1-3-5-7(9)10-8(11)6-4-2/h3-6H2,1-2H3,(H2,9,10,11)
InChIKeySEFPNGGYBKTAOW-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.68
Rot. Bonds4

About N-butanimidoylbutanamide

N-butanimidoylbutanamide (PubChem CID 173088619) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-butanimidoylbutanamide.

Molecular Properties

Compound NameN-butanimidoylbutanamide
PubChem CID173088619
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-butanimidoylbutanamide
SMILES[H]/N=C(\CCC)NC(=O)CCC
InChIInChI=1S/C8H16N2O/c1-3-5-7(9)10-8(11)6-4-2/h3-6H2,1-2H3,(H2,9,10,11)
InChIKeySEFPNGGYBKTAOW-UHFFFAOYSA-N
XLogP1.68
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butanimidoylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluorobutanimidoyl)acetamide
CID 173645008
2-methyl-N-(4-methylpentanimidoyl)propanamide
CID 140915600
6-ethyl-3-methyl-4H-1,2,4-triazin-5-one
CID 143405001
N-butanimidoylacetamide
CID 145288423
N-heptanimidoylacetamide
CID 147564357
2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide
CID 147835006
N-(2-methylpropanimidoyl)hexanamide
CID 148065266
N-ethanimidoylbutanamide
CID 152773111
2-methyl-N-(2-methylpropanimidoyl)propanamide
CID 154038986
N-ethanimidoylpropanamide
CID 154041938
N-hexanimidoylacetamide
CID 162117691
N-ethanimidoylhexanamide
CID 164004390

Frequently Asked Questions

What is the IUPAC name of N-butanimidoylbutanamide?
The IUPAC name of N-butanimidoylbutanamide (CID 173088619) is N-butanimidoylbutanamide.
What is the SMILES notation for N-butanimidoylbutanamide?
The canonical SMILES for N-butanimidoylbutanamide is [H]/N=C(\CCC)NC(=O)CCC.
What is the InChIKey of N-butanimidoylbutanamide?
The InChIKey is SEFPNGGYBKTAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-5-7(9)10-8(11)6-4-2/h3-6H2,1-2H3,(H2,9,10,11).
What are the key properties of N-butanimidoylbutanamide?
N-butanimidoylbutanamide has a molecular weight of 156.23 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butanimidoylbutanamide is sourced from PubChem (CID 173088619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).