2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide

C14H19N3O — CID 116850216

IUPAC2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide
SMILESCc1[nH]c2ccccc2c1CC(N)C(=O)N(C)C
InChIInChI=1S/C14H19N3O/c1-9-11(8-12(15)14(18)17(2)3)10-6-4-5-7-13(10)16-9/h4-7,12,16H,8,15H2,1-3H3
InChIKeyRYUBFDPIWKENDO-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.43
Rot. Bonds3

About 2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide

2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide (PubChem CID 116850216) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide
PubChem CID116850216
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide
SMILESCc1[nH]c2ccccc2c1CC(N)C(=O)N(C)C
InChIInChI=1S/C14H19N3O/c1-9-11(8-12(15)14(18)17(2)3)10-6-4-5-7-13(10)16-9/h4-7,12,16H,8,15H2,1-3H3
InChIKeyRYUBFDPIWKENDO-UHFFFAOYSA-N
XLogP1.43
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide?
The IUPAC name of 2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide (CID 116850216) is 2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide?
The canonical SMILES for 2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide is Cc1[nH]c2ccccc2c1CC(N)C(=O)N(C)C.
What is the InChIKey of 2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide?
The InChIKey is RYUBFDPIWKENDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-11(8-12(15)14(18)17(2)3)10-6-4-5-7-13(10)16-9/h4-7,12,16H,8,15H2,1-3H3.
What are the key properties of 2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide?
2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide has a molecular weight of 245.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide is sourced from PubChem (CID 116850216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).