3-(1H-indol-6-ylmethylamino)-N-(2-methylpropyl)propanamide

C16H23N3O — CID 102911831

IUPAC3-(1H-indol-6-ylmethylamino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCNCc1ccc2cc[nH]c2c1
InChIInChI=1S/C16H23N3O/c1-12(2)10-19-16(20)6-7-17-11-13-3-4-14-5-8-18-15(14)9-13/h3-5,8-9,12,17-18H,6-7,10-11H2,1-2H3,(H,19,20)
InChIKeyNUKJQPBSFNRZII-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.42
Rot. Bonds7

About 3-(1H-indol-6-ylmethylamino)-N-(2-methylpropyl)propanamide

3-(1H-indol-6-ylmethylamino)-N-(2-methylpropyl)propanamide (PubChem CID 102911831) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(1H-indol-6-ylmethylamino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-6-ylmethylamino)-N-(2-methylpropyl)propanamide
PubChem CID102911831
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(1H-indol-6-ylmethylamino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCNCc1ccc2cc[nH]c2c1
InChIInChI=1S/C16H23N3O/c1-12(2)10-19-16(20)6-7-17-11-13-3-4-14-5-8-18-15(14)9-13/h3-5,8-9,12,17-18H,6-7,10-11H2,1-2H3,(H,19,20)
InChIKeyNUKJQPBSFNRZII-UHFFFAOYSA-N
XLogP2.42
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide
CID 102909292
3-(isoquinolin-6-ylmethylamino)-N-(2-methylpropyl)propanamide
CID 107038893
3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 102911835
N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 102909156
N-(1H-indol-6-ylmethyl)butan-1-amine
CID 63749151
N-(1H-indol-6-ylmethyl)-2-isocyanoacetamide
CID 101429120
1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine
CID 113407270
N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 53274315
tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate
CID 107244952
2,2-dicyclopropyl-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911260
3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840754
tert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate
CID 107250820

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-ylmethylamino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(1H-indol-6-ylmethylamino)-N-(2-methylpropyl)propanamide (CID 102911831) is 3-(1H-indol-6-ylmethylamino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(1H-indol-6-ylmethylamino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(1H-indol-6-ylmethylamino)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCNCc1ccc2cc[nH]c2c1.
What is the InChIKey of 3-(1H-indol-6-ylmethylamino)-N-(2-methylpropyl)propanamide?
The InChIKey is NUKJQPBSFNRZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)10-19-16(20)6-7-17-11-13-3-4-14-5-8-18-15(14)9-13/h3-5,8-9,12,17-18H,6-7,10-11H2,1-2H3,(H,19,20).
What are the key properties of 3-(1H-indol-6-ylmethylamino)-N-(2-methylpropyl)propanamide?
3-(1H-indol-6-ylmethylamino)-N-(2-methylpropyl)propanamide has a molecular weight of 273.38 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-ylmethylamino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 102911831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).