2-[4-(4-cyanofuran-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide

C19H22N2O2 — CID 70836008

IUPAC2-[4-(4-cyanofuran-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)(C)c1ccc(-c2cocc2C#N)cc1
InChIInChI=1S/C19H22N2O2/c1-13(2)10-21-18(22)19(3,4)16-7-5-14(6-8-16)17-12-23-11-15(17)9-20/h5-8,11-13H,10H2,1-4H3,(H,21,22)
InChIKeyWFJCBXKDTRFAHS-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.87
Rot. Bonds5

About 2-[4-(4-cyanofuran-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide

2-[4-(4-cyanofuran-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 70836008) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[4-(4-cyanofuran-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-cyanofuran-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID70836008
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[4-(4-cyanofuran-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)(C)c1ccc(-c2cocc2C#N)cc1
InChIInChI=1S/C19H22N2O2/c1-13(2)10-21-18(22)19(3,4)16-7-5-14(6-8-16)17-12-23-11-15(17)9-20/h5-8,11-13H,10H2,1-4H3,(H,21,22)
InChIKeyWFJCBXKDTRFAHS-UHFFFAOYSA-N
XLogP3.87
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 23645378
CID 23645378
CID 5350394
CID 5350394
CID 2947017
CID 2947017
CID 126842643
CID 126842643
CID 665045
CID 665045
CID 808606
CID 808606
CID 2282851
CID 2282851
CID 5399291
CID 5399291
CID 2167901
CID 2167901
CID 49670432
CID 49670432
CID 45847305
CID 45847305
CID 49747829
CID 49747829

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanofuran-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[4-(4-cyanofuran-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide (CID 70836008) is 2-[4-(4-cyanofuran-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[4-(4-cyanofuran-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[4-(4-cyanofuran-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)(C)c1ccc(-c2cocc2C#N)cc1.
What is the InChIKey of 2-[4-(4-cyanofuran-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is WFJCBXKDTRFAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(2)10-21-18(22)19(3,4)16-7-5-14(6-8-16)17-12-23-11-15(17)9-20/h5-8,11-13H,10H2,1-4H3,(H,21,22).
What are the key properties of 2-[4-(4-cyanofuran-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide?
2-[4-(4-cyanofuran-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 310.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanofuran-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 70836008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).