3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide

C13H17N3O — CID 115153480

IUPAC3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide
SMILESCC(CN)C(=O)Nc1cn(C)c2ccccc12
InChIInChI=1S/C13H17N3O/c1-9(7-14)13(17)15-11-8-16(2)12-6-4-3-5-10(11)12/h3-6,8-9H,7,14H2,1-2H3,(H,15,17)
InChIKeyKFTDGTBWPVEJTH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.71
Rot. Bonds3

About 3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide

3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide (PubChem CID 115153480) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide
PubChem CID115153480
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide
SMILESCC(CN)C(=O)Nc1cn(C)c2ccccc12
InChIInChI=1S/C13H17N3O/c1-9(7-14)13(17)15-11-8-16(2)12-6-4-3-5-10(11)12/h3-6,8-9H,7,14H2,1-2H3,(H,15,17)
InChIKeyKFTDGTBWPVEJTH-UHFFFAOYSA-N
XLogP1.71
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(1-methylindol-3-yl)amino]-4-oxobutanoic acid
CID 115164456
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CID 115156223
2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide
CID 115187165
3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115153662
4-amino-N-(1-methylindol-3-yl)pentanamide
CID 115156554
1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide
CID 115182529
3-(1-methylindol-3-yl)-1,1-dipropylurea
CID 40519468
N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide
CID 115271613
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55105612
1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea
CID 40519573
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide?
The IUPAC name of 3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide (CID 115153480) is 3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide?
The canonical SMILES for 3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide is CC(CN)C(=O)Nc1cn(C)c2ccccc12.
What is the InChIKey of 3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide?
The InChIKey is KFTDGTBWPVEJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(7-14)13(17)15-11-8-16(2)12-6-4-3-5-10(11)12/h3-6,8-9H,7,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide?
3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide has a molecular weight of 231.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 115153480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).