4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide

C17H25N3O — CID 24708648

IUPAC4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide
SMILESCCN(CC)CCCC(C)NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H25N3O/c1-4-20(5-2)12-6-7-14(3)19-17(21)16-10-8-15(13-18)9-11-16/h8-11,14H,4-7,12H2,1-3H3,(H,19,21)
InChIKeyHEJPEDRXLISEOF-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.80
Rot. Bonds8

About 4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide

4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide (PubChem CID 24708648) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide
PubChem CID24708648
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide
SMILESCCN(CC)CCCC(C)NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H25N3O/c1-4-20(5-2)12-6-7-14(3)19-17(21)16-10-8-15(13-18)9-11-16/h8-11,14H,4-7,12H2,1-3H3,(H,19,21)
InChIKeyHEJPEDRXLISEOF-UHFFFAOYSA-N
XLogP2.80
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromopentan-2-yl)-4-cyanobenzamide
CID 114316388
N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide
CID 4535202
N-(1-bromopropan-2-yl)-4-cyanobenzamide
CID 114310444
4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 8000367
6-chloro-N-[(2R)-5-(diethylamino)pentan-2-yl]pyridine-3-carboxamide
CID 38988276
6-amino-N-[5-(diethylamino)pentan-2-yl]pyridine-3-carboxamide
CID 62153221
4-[(E)-3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 95049513
3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(4-methylphenyl)pyrrole-2-carboxamide
CID 42748419
4-[[[N-[5-(diethylamino)pentan-2-yl]-N'-methylcarbamimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 110997582
4-cyano-N-[1-[(4-cyanobenzoyl)amino]nonyl]benzamide
CID 91237344
N-[5-(diethylamino)pentan-2-yl]-5-hydroxypyridine-3-carboxamide
CID 63865105
6-[5-(diethylamino)pentan-2-ylamino]pyridine-3-carbonitrile
CID 24692421

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide?
The IUPAC name of 4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide (CID 24708648) is 4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide?
The canonical SMILES for 4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide is CCN(CC)CCCC(C)NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide?
The InChIKey is HEJPEDRXLISEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-20(5-2)12-6-7-14(3)19-17(21)16-10-8-15(13-18)9-11-16/h8-11,14H,4-7,12H2,1-3H3,(H,19,21).
What are the key properties of 4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide?
4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide has a molecular weight of 287.41 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide is sourced from PubChem (CID 24708648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).