N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

C15H16N2O2 — CID 123446706

IUPACN-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCNC(=O)C(C)(C)NC(=O)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C15H16N2O2/c1-15(2,14(19)16-3)17-13(18)10-5-4-9-11-6-8(11)7-12(9)10/h4-7,11H,1-3H3,(H,16,19)(H,17,18)
InChIKeyFRLHZNVGQWMJKH-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.99
Rot. Bonds3

About N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123446706) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
PubChem CID123446706
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC NameN-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCNC(=O)C(C)(C)NC(=O)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C15H16N2O2/c1-15(2,14(19)16-3)17-13(18)10-5-4-9-11-6-8(11)7-12(9)10/h4-7,11H,1-3H3,(H,16,19)(H,17,18)
InChIKeyFRLHZNVGQWMJKH-UHFFFAOYSA-N
XLogP0.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The IUPAC name of N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123446706) is N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The canonical SMILES for N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is CNC(=O)C(C)(C)NC(=O)C1=CC=C2C1=CC1=CC12.
What is the InChIKey of N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The InChIKey is FRLHZNVGQWMJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-15(2,14(19)16-3)17-13(18)10-5-4-9-11-6-8(11)7-12(9)10/h4-7,11H,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide has a molecular weight of 256.30 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123446706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).