2-cyano-N-[4-(diethylamino)butyl]acetamide

C11H21N3O — CID 22689010

IUPAC2-cyano-N-[4-(diethylamino)butyl]acetamide
SMILESCCN(CC)CCCCNC(=O)CC#N
InChIInChI=1S/C11H21N3O/c1-3-14(4-2)10-6-5-9-13-11(15)7-8-12/h3-7,9-10H2,1-2H3,(H,13,15)
InChIKeyCYZUTVFJSMUMTM-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.14
Rot. Bonds8

About 2-cyano-N-[4-(diethylamino)butyl]acetamide

2-cyano-N-[4-(diethylamino)butyl]acetamide (PubChem CID 22689010) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-cyano-N-[4-(diethylamino)butyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(diethylamino)butyl]acetamide
PubChem CID22689010
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-cyano-N-[4-(diethylamino)butyl]acetamide
SMILESCCN(CC)CCCCNC(=O)CC#N
InChIInChI=1S/C11H21N3O/c1-3-14(4-2)10-6-5-9-13-11(15)7-8-12/h3-7,9-10H2,1-2H3,(H,13,15)
InChIKeyCYZUTVFJSMUMTM-UHFFFAOYSA-N
XLogP1.14
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyano-N-[4-(diethylamino)butyl]acetamide 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-cyano-N-[2-[ethyl(propyl)amino]ethyl]acetamide
CID 104919958
2-cyano-N-icosylacetamide
CID 87316751
N-[4-[(2-cyanoacetyl)amino]butyl]-2-methylprop-2-enamide
CID 146301935
2-cyano-N-hex-5-ynylacetamide
CID 104920077
N-[3-(diethylamino)propyl]-4-oxopentanamide
CID 60638247
2-cyano-N-[1-[3-[4-(diethylamino)butylamino]phenyl]propyl]acetamide
CID 153374000
7-[(2-cyanoacetyl)amino]-2-methylhept-2-enoic acid
CID 91025113
N-[3-(diethylamino)propyl]-4-oxobutanamide
CID 87316109
N-[5-(diethylamino)pentyl]but-2-enamide
CID 91596429
N-[4-(diethylamino)butyl]-2-phenoxyacetamide
CID 110442217
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
CID 10047882

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(diethylamino)butyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(diethylamino)butyl]acetamide (CID 22689010) is 2-cyano-N-[4-(diethylamino)butyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(diethylamino)butyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(diethylamino)butyl]acetamide is CCN(CC)CCCCNC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[4-(diethylamino)butyl]acetamide?
The InChIKey is CYZUTVFJSMUMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-14(4-2)10-6-5-9-13-11(15)7-8-12/h3-7,9-10H2,1-2H3,(H,13,15).
What are the key properties of 2-cyano-N-[4-(diethylamino)butyl]acetamide?
2-cyano-N-[4-(diethylamino)butyl]acetamide has a molecular weight of 211.31 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(diethylamino)butyl]acetamide is sourced from PubChem (CID 22689010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).