3-amino-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)propanamide

C17H27N3O — CID 146564761

IUPAC3-amino-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)propanamide
SMILESCC(C)N1c2cc(NC(=O)CCN)ccc2C(C)(C)C1C
InChIInChI=1S/C17H27N3O/c1-11(2)20-12(3)17(4,5)14-7-6-13(10-15(14)20)19-16(21)8-9-18/h6-7,10-12H,8-9,18H2,1-5H3,(H,19,21)
InChIKeyYUJHMXUWXODFMB-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.87
Rot. Bonds4

About 3-amino-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)propanamide

3-amino-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)propanamide (PubChem CID 146564761) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-amino-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)propanamide
PubChem CID146564761
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-amino-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)propanamide
SMILESCC(C)N1c2cc(NC(=O)CCN)ccc2C(C)(C)C1C
InChIInChI=1S/C17H27N3O/c1-11(2)20-12(3)17(4,5)14-7-6-13(10-15(14)20)19-16(21)8-9-18/h6-7,10-12H,8-9,18H2,1-5H3,(H,19,21)
InChIKeyYUJHMXUWXODFMB-UHFFFAOYSA-N
XLogP2.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)propanamide?
The IUPAC name of 3-amino-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)propanamide (CID 146564761) is 3-amino-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)propanamide.
What is the SMILES notation for 3-amino-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)propanamide?
The canonical SMILES for 3-amino-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)propanamide is CC(C)N1c2cc(NC(=O)CCN)ccc2C(C)(C)C1C.
What is the InChIKey of 3-amino-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)propanamide?
The InChIKey is YUJHMXUWXODFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-11(2)20-12(3)17(4,5)14-7-6-13(10-15(14)20)19-16(21)8-9-18/h6-7,10-12H,8-9,18H2,1-5H3,(H,19,21).
What are the key properties of 3-amino-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)propanamide?
3-amino-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)propanamide is sourced from PubChem (CID 146564761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).