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

C17H25N3O — CID 62180118

IUPACN-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)N(CCC#N)CC(C)C)cc1
InChIInChI=1S/C17H25N3O/c1-4-11-19-16-8-6-15(7-9-16)17(21)20(12-5-10-18)13-14(2)3/h6-9,14,19H,4-5,11-13H2,1-3H3
InChIKeyNUZPLKVRTCPUEA-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.52
Rot. Bonds8

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

N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide (PubChem CID 62180118) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide
PubChem CID62180118
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)N(CCC#N)CC(C)C)cc1
InChIInChI=1S/C17H25N3O/c1-4-11-19-16-8-6-15(7-9-16)17(21)20(12-5-10-18)13-14(2)3/h6-9,14,19H,4-5,11-13H2,1-3H3
InChIKeyNUZPLKVRTCPUEA-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
CID 62181706
N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 60654474
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide
CID 107074624
N-methyl-N-(2-methylbutyl)-4-(propylamino)benzamide
CID 62170173
1-(2-cyanoethyl)-3-(4-fluorophenyl)-1-(2-methylpropyl)urea
CID 54940564
N-(2-hydroxypropyl)-N-methyl-4-(propylamino)benzamide
CID 62335915
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
N,N-diethyl-4-(2-methylpropylamino)benzamide
CID 102002843
3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 62734954
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide (CID 62180118) is N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)N(CCC#N)CC(C)C)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide?
The InChIKey is NUZPLKVRTCPUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-11-19-16-8-6-15(7-9-16)17(21)20(12-5-10-18)13-14(2)3/h6-9,14,19H,4-5,11-13H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide?
N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide has a molecular weight of 287.41 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide is sourced from PubChem (CID 62180118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).