2,5-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide

C21H22N2O2 — CID 52906736

IUPAC2,5-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCc2ccccc2)Cc2ccccn2)c(C)o1
InChIInChI=1S/C21H22N2O2/c1-16-14-20(17(2)25-16)21(24)23(15-19-10-6-7-12-22-19)13-11-18-8-4-3-5-9-18/h3-10,12,14H,11,13,15H2,1-2H3
InChIKeyRVAMIIMGJWJGRQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.18
Rot. Bonds6

About 2,5-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide

2,5-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide (PubChem CID 52906736) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide
PubChem CID52906736
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2,5-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCc2ccccc2)Cc2ccccn2)c(C)o1
InChIInChI=1S/C21H22N2O2/c1-16-14-20(17(2)25-16)21(24)23(15-19-10-6-7-12-22-19)13-11-18-8-4-3-5-9-18/h3-10,12,14H,11,13,15H2,1-2H3
InChIKeyRVAMIIMGJWJGRQ-UHFFFAOYSA-N
XLogP4.18
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide (CID 52906736) is 2,5-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide is Cc1cc(C(=O)N(CCc2ccccc2)Cc2ccccn2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide?
The InChIKey is RVAMIIMGJWJGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-16-14-20(17(2)25-16)21(24)23(15-19-10-6-7-12-22-19)13-11-18-8-4-3-5-9-18/h3-10,12,14H,11,13,15H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide?
2,5-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 52906736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).