2-methylidene-4-(propylamino)butanamide

C8H16N2O — CID 141087699

IUPAC2-methylidene-4-(propylamino)butanamide
SMILESC=C(CCNCCC)C(N)=O
InChIInChI=1S/C8H16N2O/c1-3-5-10-6-4-7(2)8(9)11/h10H,2-6H2,1H3,(H2,9,11)
InChIKeyQUZQXSXKRZWCSC-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.42
Rot. Bonds6

About 2-methylidene-4-(propylamino)butanamide

2-methylidene-4-(propylamino)butanamide (PubChem CID 141087699) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-methylidene-4-(propylamino)butanamide.

Molecular Properties

Compound Name2-methylidene-4-(propylamino)butanamide
PubChem CID141087699
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-methylidene-4-(propylamino)butanamide
SMILESC=C(CCNCCC)C(N)=O
InChIInChI=1S/C8H16N2O/c1-3-5-10-6-4-7(2)8(9)11/h10H,2-6H2,1H3,(H2,9,11)
InChIKeyQUZQXSXKRZWCSC-UHFFFAOYSA-N
XLogP0.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methylidene-4-(propylamino)butanamide 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

2-methylidene-6-(propylamino)hexanoic acid
CID 22266622
4-(propylamino)butanamide
CID 21468794
2-methylidenetridecanamide
CID 22648504
2-methylidenepentadecanamide
CID 57359889
ethane;3-(propylamino)propanoic acid
CID 145416081
2-methylidenepentanamide;prop-2-enamide
CID 157466233
2-[2-(propylamino)ethoxy]acetamide
CID 62336867
2-(propylamino)acetamide
CID 15839438
5-(propylamino)pentanoic acid
CID 103691549
2,13-dimethylidenetetradecanediamide
CID 87303548
2,9-dimethylidenedecanediamide
CID 22052797
2-(propylamino)ethyl 2-methylprop-2-enoate
CID 18325626

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-(propylamino)butanamide?
The IUPAC name of 2-methylidene-4-(propylamino)butanamide (CID 141087699) is 2-methylidene-4-(propylamino)butanamide.
What is the SMILES notation for 2-methylidene-4-(propylamino)butanamide?
The canonical SMILES for 2-methylidene-4-(propylamino)butanamide is C=C(CCNCCC)C(N)=O.
What is the InChIKey of 2-methylidene-4-(propylamino)butanamide?
The InChIKey is QUZQXSXKRZWCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-5-10-6-4-7(2)8(9)11/h10H,2-6H2,1H3,(H2,9,11).
What are the key properties of 2-methylidene-4-(propylamino)butanamide?
2-methylidene-4-(propylamino)butanamide has a molecular weight of 156.23 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-(propylamino)butanamide is sourced from PubChem (CID 141087699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).