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

C22H27N3O — CID 51153675

IUPACN-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide
SMILESCN(C)C(CNC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C22H27N3O/c1-25(2)21(17-9-4-3-5-10-17)16-24-22(26)14-8-11-18-15-23-20-13-7-6-12-19(18)20/h3-7,9-10,12-13,15,21,23H,8,11,14,16H2,1-2H3,(H,24,26)
InChIKeyAPVCREZJIHLSCF-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.91
Rot. Bonds8

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

N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 51153675) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide
PubChem CID51153675
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide
SMILESCN(C)C(CNC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C22H27N3O/c1-25(2)21(17-9-4-3-5-10-17)16-24-22(26)14-8-11-18-15-23-20-13-7-6-12-19(18)20/h3-7,9-10,12-13,15,21,23H,8,11,14,16H2,1-2H3,(H,24,26)
InChIKeyAPVCREZJIHLSCF-UHFFFAOYSA-N
XLogP3.91
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 2481341
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 43003309
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide
CID 95302760
N-(2-cyclopropylpropyl)-4-(1H-indol-3-yl)butanamide
CID 115591193
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide
CID 51492412
N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide
CID 111425971
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide (CID 51153675) is N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide is CN(C)C(CNC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is APVCREZJIHLSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-25(2)21(17-9-4-3-5-10-17)16-24-22(26)14-8-11-18-15-23-20-13-7-6-12-19(18)20/h3-7,9-10,12-13,15,21,23H,8,11,14,16H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide?
N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 349.48 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 51153675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).