N-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide

C21H26N2O2 — CID 71709449

IUPACN-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide
SMILESCC(C)n1cc(CCCC(=O)NCCc2ccco2)c2ccccc21
InChIInChI=1S/C21H26N2O2/c1-16(2)23-15-17(19-9-3-4-10-20(19)23)7-5-11-21(24)22-13-12-18-8-6-14-25-18/h3-4,6,8-10,14-16H,5,7,11-13H2,1-2H3,(H,22,24)
InChIKeyZVYQGYXWBQWGGB-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.50
Rot. Bonds8

About N-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide

N-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide (PubChem CID 71709449) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide
PubChem CID71709449
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide
SMILESCC(C)n1cc(CCCC(=O)NCCc2ccco2)c2ccccc21
InChIInChI=1S/C21H26N2O2/c1-16(2)23-15-17(19-9-3-4-10-20(19)23)7-5-11-21(24)22-13-12-18-8-6-14-25-18/h3-4,6,8-10,14-16H,5,7,11-13H2,1-2H3,(H,22,24)
InChIKeyZVYQGYXWBQWGGB-UHFFFAOYSA-N
XLogP4.50
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide
CID 71702555
N-[2-(furan-2-yl)ethyl]-4-hydroxypentanamide
CID 79201221
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide
CID 71754330
N-[2-(furan-2-yl)ethyl]-3-indol-1-ylpropanamide
CID 18111353
N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide
CID 71825768
N-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide
CID 71706266
3-(ethylamino)-N-[2-(furan-2-yl)ethyl]propanamide
CID 62831565
3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 71709838
N-[2-(1-methylindol-3-yl)ethyl]furan-2-carboxamide
CID 45069388
5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 55155984
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120
2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
CID 63679731

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide (CID 71709449) is N-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide is CC(C)n1cc(CCCC(=O)NCCc2ccco2)c2ccccc21.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide?
The InChIKey is ZVYQGYXWBQWGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(2)23-15-17(19-9-3-4-10-20(19)23)7-5-11-21(24)22-13-12-18-8-6-14-25-18/h3-4,6,8-10,14-16H,5,7,11-13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide?
N-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide has a molecular weight of 338.45 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide is sourced from PubChem (CID 71709449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).