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

C22H25NO3 — CID 2928234

IUPACN-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]propanamide
SMILESCCC(=O)N(CCC(Cc1ccccc1)c1ccco1)Cc1ccco1
InChIInChI=1S/C22H25NO3/c1-2-22(24)23(17-20-10-6-14-25-20)13-12-19(21-11-7-15-26-21)16-18-8-4-3-5-9-18/h3-11,14-15,19H,2,12-13,16-17H2,1H3
InChIKeyOWDIDYHPPQNBSA-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.03
Rot. Bonds9

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

N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]propanamide (PubChem CID 2928234) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]propanamide
PubChem CID2928234
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC NameN-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]propanamide
SMILESCCC(=O)N(CCC(Cc1ccccc1)c1ccco1)Cc1ccco1
InChIInChI=1S/C22H25NO3/c1-2-22(24)23(17-20-10-6-14-25-20)13-12-19(21-11-7-15-26-21)16-18-8-4-3-5-9-18/h3-11,14-15,19H,2,12-13,16-17H2,1H3
InChIKeyOWDIDYHPPQNBSA-UHFFFAOYSA-N
XLogP5.03
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.03
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]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]propanamide (CID 2928234) is N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]propanamide is CCC(=O)N(CCC(Cc1ccccc1)c1ccco1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]propanamide?
The InChIKey is OWDIDYHPPQNBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-2-22(24)23(17-20-10-6-14-25-20)13-12-19(21-11-7-15-26-21)16-18-8-4-3-5-9-18/h3-11,14-15,19H,2,12-13,16-17H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]propanamide?
N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]propanamide has a molecular weight of 351.45 g/mol, XLogP of 5.03, 9 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]propanamide is sourced from PubChem (CID 2928234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).