N-(7-amino-1,1,3,3,6-pentamethyl-2H-inden-5-yl)acetamide

C16H24N2O — CID 75365500

IUPACN-(7-amino-1,1,3,3,6-pentamethyl-2H-inden-5-yl)acetamide
SMILESCC(=O)Nc1cc2c(c(N)c1C)C(C)(C)CC2(C)C
InChIInChI=1S/C16H24N2O/c1-9-12(18-10(2)19)7-11-13(14(9)17)16(5,6)8-15(11,3)4/h7H,8,17H2,1-6H3,(H,18,19)
InChIKeyJTEPBXIHHOPNOS-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.49
Rot. Bonds1

About N-(7-amino-1,1,3,3,6-pentamethyl-2H-inden-5-yl)acetamide

N-(7-amino-1,1,3,3,6-pentamethyl-2H-inden-5-yl)acetamide (PubChem CID 75365500) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(7-amino-1,1,3,3,6-pentamethyl-2H-inden-5-yl)acetamide.

Molecular Properties

Compound NameN-(7-amino-1,1,3,3,6-pentamethyl-2H-inden-5-yl)acetamide
PubChem CID75365500
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(7-amino-1,1,3,3,6-pentamethyl-2H-inden-5-yl)acetamide
SMILESCC(=O)Nc1cc2c(c(N)c1C)C(C)(C)CC2(C)C
InChIInChI=1S/C16H24N2O/c1-9-12(18-10(2)19)7-11-13(14(9)17)16(5,6)8-15(11,3)4/h7H,8,17H2,1-6H3,(H,18,19)
InChIKeyJTEPBXIHHOPNOS-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-1,1,3,3,6-pentamethyl-2H-inden-5-yl)acetamide?
The IUPAC name of N-(7-amino-1,1,3,3,6-pentamethyl-2H-inden-5-yl)acetamide (CID 75365500) is N-(7-amino-1,1,3,3,6-pentamethyl-2H-inden-5-yl)acetamide.
What is the SMILES notation for N-(7-amino-1,1,3,3,6-pentamethyl-2H-inden-5-yl)acetamide?
The canonical SMILES for N-(7-amino-1,1,3,3,6-pentamethyl-2H-inden-5-yl)acetamide is CC(=O)Nc1cc2c(c(N)c1C)C(C)(C)CC2(C)C.
What is the InChIKey of N-(7-amino-1,1,3,3,6-pentamethyl-2H-inden-5-yl)acetamide?
The InChIKey is JTEPBXIHHOPNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-9-12(18-10(2)19)7-11-13(14(9)17)16(5,6)8-15(11,3)4/h7H,8,17H2,1-6H3,(H,18,19).
What are the key properties of N-(7-amino-1,1,3,3,6-pentamethyl-2H-inden-5-yl)acetamide?
N-(7-amino-1,1,3,3,6-pentamethyl-2H-inden-5-yl)acetamide has a molecular weight of 260.38 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-1,1,3,3,6-pentamethyl-2H-inden-5-yl)acetamide is sourced from PubChem (CID 75365500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).