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

C20H25N3O2 — CID 2481341

IUPACN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESCN(C)[C@H](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)/t18-/m1/s1
InChIKeyMCIRZTOWDAVCSH-GOSISDBHSA-N
MW339.44 g/mol
LogP3.50
Rot. Bonds8

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

N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 2481341) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide
PubChem CID2481341
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESCN(C)[C@H](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)/t18-/m1/s1
InChIKeyMCIRZTOWDAVCSH-GOSISDBHSA-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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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide
CID 51153675
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(1H-indol-3-yl)propanamide
CID 110889323
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(1H-indol-3-yl)butanamide
CID 18161354
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246
2-(5-chloro-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 110621183
N-(2-cyclopropylpropyl)-4-(1H-indol-3-yl)butanamide
CID 115591193
N-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 41273168
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide
CID 4807743
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 43003309
N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide
CID 95302760
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide (CID 2481341) is N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide is CN(C)[C@H](CNC(=O)CCCc1c[nH]c2ccccc12)c1ccco1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is MCIRZTOWDAVCSH-GOSISDBHSA-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)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
N-[(2R)-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-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 2481341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).