3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide

C16H23N3O — CID 106095875

IUPAC3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide
SMILESCc1c(CNC(C)(C)CC(N)=O)n(C)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-11-12-7-5-6-8-13(12)19(4)14(11)10-18-16(2,3)9-15(17)20/h5-8,18H,9-10H2,1-4H3,(H2,17,20)
InChIKeyRHWTZSCJZLIWEZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.23
Rot. Bonds5

About 3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide

3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide (PubChem CID 106095875) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide
PubChem CID106095875
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide
SMILESCc1c(CNC(C)(C)CC(N)=O)n(C)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-11-12-7-5-6-8-13(12)19(4)14(11)10-18-16(2,3)9-15(17)20/h5-8,18H,9-10H2,1-4H3,(H2,17,20)
InChIKeyRHWTZSCJZLIWEZ-UHFFFAOYSA-N
XLogP2.23
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide?
The IUPAC name of 3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide (CID 106095875) is 3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide?
The canonical SMILES for 3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide is Cc1c(CNC(C)(C)CC(N)=O)n(C)c2ccccc12.
What is the InChIKey of 3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide?
The InChIKey is RHWTZSCJZLIWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-12-7-5-6-8-13(12)19(4)14(11)10-18-16(2,3)9-15(17)20/h5-8,18H,9-10H2,1-4H3,(H2,17,20).
What are the key properties of 3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide?
3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide has a molecular weight of 273.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide is sourced from PubChem (CID 106095875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).