4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide

C14H19N3O — CID 115156223

IUPAC4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide
SMILESCC(CN)CC(=O)Nc1cn(C)c2ccccc12
InChIInChI=1S/C14H19N3O/c1-10(8-15)7-14(18)16-12-9-17(2)13-6-4-3-5-11(12)13/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyXNNRKXHBDNOZHL-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.10
Rot. Bonds4

About 4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide

4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide (PubChem CID 115156223) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide
PubChem CID115156223
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide
SMILESCC(CN)CC(=O)Nc1cn(C)c2ccccc12
InChIInChI=1S/C14H19N3O/c1-10(8-15)7-14(18)16-12-9-17(2)13-6-4-3-5-11(12)13/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyXNNRKXHBDNOZHL-UHFFFAOYSA-N
XLogP2.10
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.10
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
4-amino-N-(1-methylindol-3-yl)pentanamide
CID 115156554
3-methyl-4-[(1-methylindol-3-yl)amino]-4-oxobutanoic acid
CID 115164456
4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide
CID 81071847
2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide
CID 115187165
1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide
CID 115182529
N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide
CID 115271613
3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide
CID 47078833
3-(1-methylindol-3-yl)-1,1-dipropylurea
CID 40519468
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115153662
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide (CID 115156223) is 4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide is CC(CN)CC(=O)Nc1cn(C)c2ccccc12.
What is the InChIKey of 4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide?
The InChIKey is XNNRKXHBDNOZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(8-15)7-14(18)16-12-9-17(2)13-6-4-3-5-11(12)13/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide?
4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide has a molecular weight of 245.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide is sourced from PubChem (CID 115156223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).