N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide

C20H25N3O2 — CID 2997836

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESCN(C)C(CNC(=O)CCCc1c[nH]c2ccccc12)c1ccco1
InChIInChI=1S/C20H25N3O2/c1-23(2)18(19-10-6-12-25-19)14-22-20(24)11-5-7-15-13-21-17-9-4-3-8-16(15)17/h3-4,6,8-10,12-13,18,21H,5,7,11,14H2,1-2H3,(H,22,24)
InChIKeyMCIRZTOWDAVCSH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.50
Rot. Bonds8

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 2997836) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide
PubChem CID2997836
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESCN(C)C(CNC(=O)CCCc1c[nH]c2ccccc12)c1ccco1
InChIInChI=1S/C20H25N3O2/c1-23(2)18(19-10-6-12-25-19)14-22-20(24)11-5-7-15-13-21-17-9-4-3-8-16(15)17/h3-4,6,8-10,12-13,18,21H,5,7,11,14H2,1-2H3,(H,22,24)
InChIKeyMCIRZTOWDAVCSH-UHFFFAOYSA-N
XLogP3.50
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide (CID 2997836) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide is CN(C)C(CNC(=O)CCCc1c[nH]c2ccccc12)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is MCIRZTOWDAVCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-23(2)18(19-10-6-12-25-19)14-22-20(24)11-5-7-15-13-21-17-9-4-3-8-16(15)17/h3-4,6,8-10,12-13,18,21H,5,7,11,14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 339.44 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 2997836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).