3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide

C14H19N3O — CID 110838357

IUPAC3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
SMILESCn1ccc2cc(NC(=O)CC(C)(C)N)ccc21
InChIInChI=1S/C14H19N3O/c1-14(2,15)9-13(18)16-11-4-5-12-10(8-11)6-7-17(12)3/h4-8H,9,15H2,1-3H3,(H,16,18)
InChIKeyCYXIOFJFRQZEMG-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.24
Rot. Bonds3

About 3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide

3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide (PubChem CID 110838357) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
PubChem CID110838357
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
SMILESCn1ccc2cc(NC(=O)CC(C)(C)N)ccc21
InChIInChI=1S/C14H19N3O/c1-14(2,15)9-13(18)16-11-4-5-12-10(8-11)6-7-17(12)3/h4-8H,9,15H2,1-3H3,(H,16,18)
InChIKeyCYXIOFJFRQZEMG-UHFFFAOYSA-N
XLogP2.24
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide
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(2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
CID 110837856
1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride
CID 45259292
methyl 2-[(1-methylindol-5-yl)amino]acetate
CID 82539684
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 64684929
N-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 121240660
N-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide
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3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide
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5-(3,3-dimethylbutanoylamino)-1-methylindole-2-carboxylic acid
CID 142226312

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide (CID 110838357) is 3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide is Cn1ccc2cc(NC(=O)CC(C)(C)N)ccc21.
What is the InChIKey of 3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide?
The InChIKey is CYXIOFJFRQZEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,15)9-13(18)16-11-4-5-12-10(8-11)6-7-17(12)3/h4-8H,9,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide?
3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide has a molecular weight of 245.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide is sourced from PubChem (CID 110838357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).