2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide

C15H20N2O2 — CID 115187165

IUPAC2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide
SMILESCC(C)C(CO)C(=O)Nc1cn(C)c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-10(2)12(9-18)15(19)16-13-8-17(3)14-7-5-4-6-11(13)14/h4-8,10,12,18H,9H2,1-3H3,(H,16,19)
InChIKeyBPBRZTIVFXOYTA-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.38
Rot. Bonds4

About 2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide

2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide (PubChem CID 115187165) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide
PubChem CID115187165
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide
SMILESCC(C)C(CO)C(=O)Nc1cn(C)c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-10(2)12(9-18)15(19)16-13-8-17(3)14-7-5-4-6-11(13)14/h4-8,10,12,18H,9H2,1-3H3,(H,16,19)
InChIKeyBPBRZTIVFXOYTA-UHFFFAOYSA-N
XLogP2.38
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide
CID 115153480
3-methyl-4-[(1-methylindol-3-yl)amino]-4-oxobutanoic acid
CID 115164456
4-amino-N-(1-methylindol-3-yl)pentanamide
CID 115156554
4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide
CID 115156223
3-(1-methylindol-3-yl)-1,1-dipropylurea
CID 40519468
1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide
CID 115182529
1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea
CID 40519573
1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea
CID 91286178
1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea
CID 18582320
1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea
CID 40519549
methyl (2S)-3-methyl-2-[(1-methylindole-3-carbonyl)amino]butanoate
CID 51681664
(3R,5S)-3,5-dimethyl-N-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 42551679

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide?
The IUPAC name of 2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide (CID 115187165) is 2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide.
What is the SMILES notation for 2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide?
The canonical SMILES for 2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide is CC(C)C(CO)C(=O)Nc1cn(C)c2ccccc12.
What is the InChIKey of 2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide?
The InChIKey is BPBRZTIVFXOYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)12(9-18)15(19)16-13-8-17(3)14-7-5-4-6-11(13)14/h4-8,10,12,18H,9H2,1-3H3,(H,16,19).
What are the key properties of 2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide?
2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide has a molecular weight of 260.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide is sourced from PubChem (CID 115187165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).