4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide

C19H22N2O2 — CID 60519774

IUPAC4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1
InChIInChI=1S/C19H22N2O2/c1-19(2,3)16-9-7-15(8-10-16)18(22)21(12-5-11-20)14-17-6-4-13-23-17/h4,6-10,13H,5,12,14H2,1-3H3
InChIKeyXBLFEGXVUWHQJT-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.13
Rot. Bonds5

About 4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide

4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 60519774) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
PubChem CID60519774
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1
InChIInChI=1S/C19H22N2O2/c1-19(2,3)16-9-7-15(8-10-16)18(22)21(12-5-11-20)14-17-6-4-13-23-17/h4,6-10,13H,5,12,14H2,1-3H3
InChIKeyXBLFEGXVUWHQJT-UHFFFAOYSA-N
XLogP4.13
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60948719
4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 102851366
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 103908367
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 60654683
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide
CID 47090922
3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60654625
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide
CID 79805676
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 106853587

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide (CID 60519774) is 4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide is CC(C)(C)c1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide?
The InChIKey is XBLFEGXVUWHQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-19(2,3)16-9-7-15(8-10-16)18(22)21(12-5-11-20)14-17-6-4-13-23-17/h4,6-10,13H,5,12,14H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide?
4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 310.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 60519774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).