5-(3-amino-3-methyl-2-oxobutyl)-2-methyl-1,3-dihydroindene-2-carboxamide

C16H22N2O2 — CID 58345382

IUPAC5-(3-amino-3-methyl-2-oxobutyl)-2-methyl-1,3-dihydroindene-2-carboxamide
SMILESCC(C)(N)C(=O)Cc1ccc2c(c1)CC(C)(C(N)=O)C2
InChIInChI=1S/C16H22N2O2/c1-15(2,18)13(19)7-10-4-5-11-8-16(3,14(17)20)9-12(11)6-10/h4-6H,7-9,18H2,1-3H3,(H2,17,20)
InChIKeyPUHQUGAOFQLDPQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.13
Rot. Bonds4

About 5-(3-amino-3-methyl-2-oxobutyl)-2-methyl-1,3-dihydroindene-2-carboxamide

5-(3-amino-3-methyl-2-oxobutyl)-2-methyl-1,3-dihydroindene-2-carboxamide (PubChem CID 58345382) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-(3-amino-3-methyl-2-oxobutyl)-2-methyl-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name5-(3-amino-3-methyl-2-oxobutyl)-2-methyl-1,3-dihydroindene-2-carboxamide
PubChem CID58345382
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-(3-amino-3-methyl-2-oxobutyl)-2-methyl-1,3-dihydroindene-2-carboxamide
SMILESCC(C)(N)C(=O)Cc1ccc2c(c1)CC(C)(C(N)=O)C2
InChIInChI=1S/C16H22N2O2/c1-15(2,18)13(19)7-10-4-5-11-8-16(3,14(17)20)9-12(11)6-10/h4-6H,7-9,18H2,1-3H3,(H2,17,20)
InChIKeyPUHQUGAOFQLDPQ-UHFFFAOYSA-N
XLogP1.13
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-3-methyl-2-oxobutyl)-2-methyl-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 5-(3-amino-3-methyl-2-oxobutyl)-2-methyl-1,3-dihydroindene-2-carboxamide (CID 58345382) is 5-(3-amino-3-methyl-2-oxobutyl)-2-methyl-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 5-(3-amino-3-methyl-2-oxobutyl)-2-methyl-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 5-(3-amino-3-methyl-2-oxobutyl)-2-methyl-1,3-dihydroindene-2-carboxamide is CC(C)(N)C(=O)Cc1ccc2c(c1)CC(C)(C(N)=O)C2.
What is the InChIKey of 5-(3-amino-3-methyl-2-oxobutyl)-2-methyl-1,3-dihydroindene-2-carboxamide?
The InChIKey is PUHQUGAOFQLDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-15(2,18)13(19)7-10-4-5-11-8-16(3,14(17)20)9-12(11)6-10/h4-6H,7-9,18H2,1-3H3,(H2,17,20).
What are the key properties of 5-(3-amino-3-methyl-2-oxobutyl)-2-methyl-1,3-dihydroindene-2-carboxamide?
5-(3-amino-3-methyl-2-oxobutyl)-2-methyl-1,3-dihydroindene-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-3-methyl-2-oxobutyl)-2-methyl-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 58345382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).