N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide

C18H21N3O2 — CID 86910776

IUPACN-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCc1cccc(C)c1NCC(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C18H21N3O2/c1-14-6-3-7-15(2)18(14)20-12-17(22)21(10-5-9-19)13-16-8-4-11-23-16/h3-4,6-8,11,20H,5,10,12-13H2,1-2H3
InChIKeyUTBVHVOBTLEOSI-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.25
Rot. Bonds7

About N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide

N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 86910776) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide
PubChem CID86910776
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCc1cccc(C)c1NCC(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C18H21N3O2/c1-14-6-3-7-15(2)18(14)20-12-17(22)21(10-5-9-19)13-16-8-4-11-23-16/h3-4,6-8,11,20H,5,10,12-13H2,1-2H3
InChIKeyUTBVHVOBTLEOSI-UHFFFAOYSA-N
XLogP3.25
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide (CID 86910776) is N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide is Cc1cccc(C)c1NCC(=O)N(CCC#N)Cc1ccco1.
What is the InChIKey of N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is UTBVHVOBTLEOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-6-3-7-15(2)18(14)20-12-17(22)21(10-5-9-19)13-16-8-4-11-23-16/h3-4,6-8,11,20H,5,10,12-13H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide?
N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 86910776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).