N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]acetamide

C21H23NO3 — CID 2950900

IUPACN-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]acetamide
SMILESCC(=O)N(CCC(Cc1ccccc1)c1ccco1)Cc1ccco1
InChIInChI=1S/C21H23NO3/c1-17(23)22(16-20-9-5-13-24-20)12-11-19(21-10-6-14-25-21)15-18-7-3-2-4-8-18/h2-10,13-14,19H,11-12,15-16H2,1H3
InChIKeyFEFIQTAHTILAMN-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.64
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]acetamide

N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]acetamide (PubChem CID 2950900) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]acetamide
PubChem CID2950900
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC NameN-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]acetamide
SMILESCC(=O)N(CCC(Cc1ccccc1)c1ccco1)Cc1ccco1
InChIInChI=1S/C21H23NO3/c1-17(23)22(16-20-9-5-13-24-20)12-11-19(21-10-6-14-25-21)15-18-7-3-2-4-8-18/h2-10,13-14,19H,11-12,15-16H2,1H3
InChIKeyFEFIQTAHTILAMN-UHFFFAOYSA-N
XLogP4.64
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]acetamide (CID 2950900) is N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]acetamide is CC(=O)N(CCC(Cc1ccccc1)c1ccco1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]acetamide?
The InChIKey is FEFIQTAHTILAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-17(23)22(16-20-9-5-13-24-20)12-11-19(21-10-6-14-25-21)15-18-7-3-2-4-8-18/h2-10,13-14,19H,11-12,15-16H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]acetamide?
N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]acetamide is sourced from PubChem (CID 2950900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).