N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide

C16H23N3O — CID 60654474

IUPACN-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCC#N)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H23N3O/c1-13(2)12-19(11-5-10-17)16(20)14-6-8-15(9-7-14)18(3)4/h6-9,13H,5,11-12H2,1-4H3
InChIKeyKPHFRTLWLVQCOF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.76
Rot. Bonds6

About N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide

N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide (PubChem CID 60654474) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide
PubChem CID60654474
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCC#N)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H23N3O/c1-13(2)12-19(11-5-10-17)16(20)14-6-8-15(9-7-14)18(3)4/h6-9,13H,5,11-12H2,1-4H3
InChIKeyKPHFRTLWLVQCOF-UHFFFAOYSA-N
XLogP2.76
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide
CID 107074624
N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide
CID 62180118
N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 60699391
N-(2-cyanoethyl)-3-iodo-N-(2-methylpropyl)benzamide
CID 60654556
3-amino-N-(2-cyanoethyl)-4-methoxy-N-(2-methylpropyl)benzamide
CID 61116424
4-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
CID 60659981
4-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
CID 60699382
N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide
CID 54997505
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide
CID 60654639
3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 62734954
2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 62162054

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide?
The IUPAC name of N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide (CID 60654474) is N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide is CC(C)CN(CCC#N)C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide?
The InChIKey is KPHFRTLWLVQCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)12-19(11-5-10-17)16(20)14-6-8-15(9-7-14)18(3)4/h6-9,13H,5,11-12H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide?
N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide has a molecular weight of 273.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 60654474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).