3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide

C22H25N3O2 — CID 47078833

IUPAC3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)Cc2cn(C)c3ccccc23)cc1
InChIInChI=1S/C22H25N3O2/c1-15(2)12-21(26)23-17-8-10-18(11-9-17)24-22(27)13-16-14-25(3)20-7-5-4-6-19(16)20/h4-11,14-15H,12-13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyBHOYEPXZAJDARQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.34
Rot. Bonds6

About 3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide

3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide (PubChem CID 47078833) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide
PubChem CID47078833
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)Cc2cn(C)c3ccccc23)cc1
InChIInChI=1S/C22H25N3O2/c1-15(2)12-21(26)23-17-8-10-18(11-9-17)24-22(27)13-16-14-25(3)20-7-5-4-6-19(16)20/h4-11,14-15H,12-13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyBHOYEPXZAJDARQ-UHFFFAOYSA-N
XLogP4.34
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 13010552
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CID 71883645
N-(2-ethylphenyl)-2-(1-methylindol-3-yl)acetamide
CID 4523543
(2S)-2-hydroxy-5-methyl-1-(1-methylindol-3-yl)hexan-3-one
CID 154573734
N-(2-aminopropyl)-2-(1-methylindol-3-yl)acetamide
CID 110832860
N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158236
2-(1-methylindol-3-yl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122317256
N-(5-chloro-2-pyridinyl)-2-(1-methylindol-3-yl)acetamide
CID 4568690
2-(1-methylindol-3-yl)-N-quinolin-5-ylacetamide
CID 51055371
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid
CID 53385203

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide (CID 47078833) is 3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide is CC(C)CC(=O)Nc1ccc(NC(=O)Cc2cn(C)c3ccccc23)cc1.
What is the InChIKey of 3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide?
The InChIKey is BHOYEPXZAJDARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(2)12-21(26)23-17-8-10-18(11-9-17)24-22(27)13-16-14-25(3)20-7-5-4-6-19(16)20/h4-11,14-15H,12-13H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide?
3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide has a molecular weight of 363.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 47078833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).