2-cyano-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylbutanamide

C16H20N2O — CID 115188347

IUPAC2-cyano-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylbutanamide
SMILESCCC(C#N)C(=O)N(C)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H20N2O/c1-3-13(10-17)16(19)18(2)11-12-7-8-14-5-4-6-15(14)9-12/h7-9,13H,3-6,11H2,1-2H3
InChIKeySQOLNDOZNXIVIL-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.68
Rot. Bonds4

About 2-cyano-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylbutanamide

2-cyano-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylbutanamide (PubChem CID 115188347) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-cyano-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylbutanamide
PubChem CID115188347
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-cyano-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylbutanamide
SMILESCCC(C#N)C(=O)N(C)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H20N2O/c1-3-13(10-17)16(19)18(2)11-12-7-8-14-5-4-6-15(14)9-12/h7-9,13H,3-6,11H2,1-2H3
InChIKeySQOLNDOZNXIVIL-UHFFFAOYSA-N
XLogP2.68
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-5-ylmethyl(methyl)carbamothioic S-acid
CID 115170087
2-(2,3-dihydro-1H-indene-5-carbonyl)butanenitrile
CID 43670549
2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanenitrile
CID 116923667
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 115190288
N-[(5-bromo-2-fluorophenyl)methyl]-2-cyano-N-methylbutanamide
CID 115188370
2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 55208257
4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one
CID 115235761
4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 115150200
2-cyano-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylbutanamide
CID 115188435
2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 79494761
2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid
CID 122040027
N-hydroxy-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
CID 15670573

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylbutanamide?
The IUPAC name of 2-cyano-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylbutanamide (CID 115188347) is 2-cyano-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylbutanamide?
The canonical SMILES for 2-cyano-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylbutanamide is CCC(C#N)C(=O)N(C)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 2-cyano-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylbutanamide?
The InChIKey is SQOLNDOZNXIVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-13(10-17)16(19)18(2)11-12-7-8-14-5-4-6-15(14)9-12/h7-9,13H,3-6,11H2,1-2H3.
What are the key properties of 2-cyano-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylbutanamide?
2-cyano-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylbutanamide has a molecular weight of 256.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylbutanamide is sourced from PubChem (CID 115188347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).