2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide

C22H26N2O — CID 54112601

IUPAC2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide
SMILESCCC(C)(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
InChIInChI=1S/C22H26N2O/c1-3-22(2,15-18-16-24-20-12-8-7-11-19(18)20)21(25)23-14-13-17-9-5-4-6-10-17/h4-12,16,24H,3,13-15H2,1-2H3,(H,23,25)
InChIKeyDWDCNHFWFIWSIY-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.49
Rot. Bonds7

About 2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide

2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide (PubChem CID 54112601) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide
PubChem CID54112601
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide
SMILESCCC(C)(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
InChIInChI=1S/C22H26N2O/c1-3-22(2,15-18-16-24-20-12-8-7-11-19(18)20)21(25)23-14-13-17-9-5-4-6-10-17/h4-12,16,24H,3,13-15H2,1-2H3,(H,23,25)
InChIKeyDWDCNHFWFIWSIY-UHFFFAOYSA-N
XLogP4.49
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide
CID 23356005
(4-fluorophenyl)methyl-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamic acid
CID 67600506
2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide
CID 79805542
cyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 10455561
4-[[(2S)-2-amino-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]butanoic acid
CID 67671736
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 79792358
4-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]benzoic acid
CID 71900120
(2,4-difluorophenyl)methyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 57261981
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108961978
[1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid
CID 19047782

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide?
The IUPAC name of 2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide (CID 54112601) is 2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide?
The canonical SMILES for 2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide is CCC(C)(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide?
The InChIKey is DWDCNHFWFIWSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-3-22(2,15-18-16-24-20-12-8-7-11-19(18)20)21(25)23-14-13-17-9-5-4-6-10-17/h4-12,16,24H,3,13-15H2,1-2H3,(H,23,25).
What are the key properties of 2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide?
2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide has a molecular weight of 334.46 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 54112601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).