2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide

C16H21N3O2 — CID 86929104

IUPAC2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide
SMILESCC(=O)NC(C(=O)Nc1ccc2[nH]c(C)cc2c1)C(C)C
InChIInChI=1S/C16H21N3O2/c1-9(2)15(18-11(4)20)16(21)19-13-5-6-14-12(8-13)7-10(3)17-14/h5-9,15,17H,1-4H3,(H,18,20)(H,19,21)
InChIKeyVCPMFTRIQLGCRJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.58
Rot. Bonds4

About 2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide

2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide (PubChem CID 86929104) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide.

Molecular Properties

Compound Name2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide
PubChem CID86929104
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide
SMILESCC(=O)NC(C(=O)Nc1ccc2[nH]c(C)cc2c1)C(C)C
InChIInChI=1S/C16H21N3O2/c1-9(2)15(18-11(4)20)16(21)19-13-5-6-14-12(8-13)7-10(3)17-14/h5-9,15,17H,1-4H3,(H,18,20)(H,19,21)
InChIKeyVCPMFTRIQLGCRJ-UHFFFAOYSA-N
XLogP2.58
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide
CID 46414003
2-acetamido-N-(4-bromophenyl)-3-methylbutanamide
CID 17391080
2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-1H-indol-5-yl)propanamide
CID 109388875
2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide
CID 17424287
1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea
CID 111474667
4-[(2-acetamido-3-methylbutanoyl)amino]-2-chlorobenzoic acid
CID 61398318
methyl 5-[(2-acetamido-3-methylbutanoyl)amino]-2-chlorobenzoate
CID 134003465
2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 131899761
ethyl 5-[(2-acetamido-3-methylbutanoyl)amino]-2-chlorobenzoate
CID 47064806
methyl 3-[[(2R)-2-acetamido-3-methylbutanoyl]amino]benzoate
CID 40880276
3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
CID 46517429
1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea
CID 136571788

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide?
The IUPAC name of 2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide (CID 86929104) is 2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide.
What is the SMILES notation for 2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide?
The canonical SMILES for 2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide is CC(=O)NC(C(=O)Nc1ccc2[nH]c(C)cc2c1)C(C)C.
What is the InChIKey of 2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide?
The InChIKey is VCPMFTRIQLGCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-9(2)15(18-11(4)20)16(21)19-13-5-6-14-12(8-13)7-10(3)17-14/h5-9,15,17H,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide?
2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide has a molecular weight of 287.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide is sourced from PubChem (CID 86929104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).