3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide

C22H26N2O — CID 70207530

IUPAC3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
SMILESCC(Cc1c[nH]c2ccccc12)C(=O)NCC(C)(C)c1ccccc1
InChIInChI=1S/C22H26N2O/c1-16(13-17-14-23-20-12-8-7-11-19(17)20)21(25)24-15-22(2,3)18-9-5-4-6-10-18/h4-12,14,16,23H,13,15H2,1-3H3,(H,24,25)
InChIKeyCZSSLDBDKJVJDM-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.44
Rot. Bonds6

About 3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide

3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide (PubChem CID 70207530) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
PubChem CID70207530
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
SMILESCC(Cc1c[nH]c2ccccc12)C(=O)NCC(C)(C)c1ccccc1
InChIInChI=1S/C22H26N2O/c1-16(13-17-14-23-20-12-8-7-11-19(17)20)21(25)24-15-22(2,3)18-9-5-4-6-10-18/h4-12,14,16,23H,13,15H2,1-3H3,(H,24,25)
InChIKeyCZSSLDBDKJVJDM-UHFFFAOYSA-N
XLogP4.44
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate
CID 58406243
3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide
CID 70159109
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
N-[(3,4-dihydroxyphenyl)methyl]-3-(1H-indol-3-yl)-2-methylpropanamide
CID 70160522
tert-butyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617478
(2S)-3-(1H-indol-3-yl)-2-(tritylamino)propanoic acid;3-(1H-indol-3-yl)-2-(tritylamino)propanoic acid
CID 67623773
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide
CID 114350846
(2R)-2-[(4-tert-butylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 7303855
4-(1H-indol-3-ylmethylamino)-3-methyl-4-oxobutanoic acid
CID 115164587
N-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide
CID 70208719
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide
CID 138693223

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide (CID 70207530) is 3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide is CC(Cc1c[nH]c2ccccc12)C(=O)NCC(C)(C)c1ccccc1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide?
The InChIKey is CZSSLDBDKJVJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-16(13-17-14-23-20-12-8-7-11-19(17)20)21(25)24-15-22(2,3)18-9-5-4-6-10-18/h4-12,14,16,23H,13,15H2,1-3H3,(H,24,25).
What are the key properties of 3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide?
3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide has a molecular weight of 334.46 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide is sourced from PubChem (CID 70207530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).