N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide

C17H22N2O — CID 60699391

IUPACN-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H22N2O/c1-13(2)12-19(10-4-9-18)17(20)16-8-7-14-5-3-6-15(14)11-16/h7-8,11,13H,3-6,10,12H2,1-2H3
InChIKeyVNFKBKSNIUPROL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.19
Rot. Bonds5

About N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide

N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 60699391) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID60699391
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H22N2O/c1-13(2)12-19(10-4-9-18)17(20)16-8-7-14-5-3-6-15(14)11-16/h7-8,11,13H,3-6,10,12H2,1-2H3
InChIKeyVNFKBKSNIUPROL-UHFFFAOYSA-N
XLogP3.19
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide
CID 107074624
N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 60654474
3-amino-N-(2-cyanoethyl)-4-methoxy-N-(2-methylpropyl)benzamide
CID 61116424
N-(2-cyanoethyl)-3-iodo-N-(2-methylpropyl)benzamide
CID 60654556
4-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
CID 60699382
N-(2-cyanoethyl)-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 60654395
4-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
CID 60659981
N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide
CID 62180118
2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 62162054
N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56784305
N,N-bis(2-cyanoethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60953943
3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile
CID 62036641

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 60699391) is N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide is CC(C)CN(CCC#N)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is VNFKBKSNIUPROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(2)12-19(10-4-9-18)17(20)16-8-7-14-5-3-6-15(14)11-16/h7-8,11,13H,3-6,10,12H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 60699391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).