3-(furan-2-yl)-N-[3-(furan-2-yl)-4-methylpentyl]-4-phenylbutanamide

C24H29NO3 — CID 3275785

IUPAC3-(furan-2-yl)-N-[3-(furan-2-yl)-4-methylpentyl]-4-phenylbutanamide
SMILESCC(C)C(CCNC(=O)CC(Cc1ccccc1)c1ccco1)c1ccco1
InChIInChI=1S/C24H29NO3/c1-18(2)21(23-11-7-15-28-23)12-13-25-24(26)17-20(22-10-6-14-27-22)16-19-8-4-3-5-9-19/h3-11,14-15,18,20-21H,12-13,16-17H2,1-2H3,(H,25,26)
InChIKeyWOVQBAKDGWRITN-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.54
Rot. Bonds10

About 3-(furan-2-yl)-N-[3-(furan-2-yl)-4-methylpentyl]-4-phenylbutanamide

3-(furan-2-yl)-N-[3-(furan-2-yl)-4-methylpentyl]-4-phenylbutanamide (PubChem CID 3275785) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[3-(furan-2-yl)-4-methylpentyl]-4-phenylbutanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[3-(furan-2-yl)-4-methylpentyl]-4-phenylbutanamide
PubChem CID3275785
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name3-(furan-2-yl)-N-[3-(furan-2-yl)-4-methylpentyl]-4-phenylbutanamide
SMILESCC(C)C(CCNC(=O)CC(Cc1ccccc1)c1ccco1)c1ccco1
InChIInChI=1S/C24H29NO3/c1-18(2)21(23-11-7-15-28-23)12-13-25-24(26)17-20(22-10-6-14-27-22)16-19-8-4-3-5-9-19/h3-11,14-15,18,20-21H,12-13,16-17H2,1-2H3,(H,25,26)
InChIKeyWOVQBAKDGWRITN-UHFFFAOYSA-N
XLogP5.54
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[3-(furan-2-yl)-4-methylpentyl]-4-phenylbutanamide?
The IUPAC name of 3-(furan-2-yl)-N-[3-(furan-2-yl)-4-methylpentyl]-4-phenylbutanamide (CID 3275785) is 3-(furan-2-yl)-N-[3-(furan-2-yl)-4-methylpentyl]-4-phenylbutanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[3-(furan-2-yl)-4-methylpentyl]-4-phenylbutanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[3-(furan-2-yl)-4-methylpentyl]-4-phenylbutanamide is CC(C)C(CCNC(=O)CC(Cc1ccccc1)c1ccco1)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-[3-(furan-2-yl)-4-methylpentyl]-4-phenylbutanamide?
The InChIKey is WOVQBAKDGWRITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-18(2)21(23-11-7-15-28-23)12-13-25-24(26)17-20(22-10-6-14-27-22)16-19-8-4-3-5-9-19/h3-11,14-15,18,20-21H,12-13,16-17H2,1-2H3,(H,25,26).
What are the key properties of 3-(furan-2-yl)-N-[3-(furan-2-yl)-4-methylpentyl]-4-phenylbutanamide?
3-(furan-2-yl)-N-[3-(furan-2-yl)-4-methylpentyl]-4-phenylbutanamide has a molecular weight of 379.50 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[3-(furan-2-yl)-4-methylpentyl]-4-phenylbutanamide is sourced from PubChem (CID 3275785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).