4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2,2-dimethyl-4-oxobutanamide

C15H24N2O2 — CID 22673450

IUPAC4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2,2-dimethyl-4-oxobutanamide
SMILESCC(C)(CC(=O)N1CCCC2CCCC=C21)C(N)=O
InChIInChI=1S/C15H24N2O2/c1-15(2,14(16)19)10-13(18)17-9-5-7-11-6-3-4-8-12(11)17/h8,11H,3-7,9-10H2,1-2H3,(H2,16,19)
InChIKeyZICDNYJWKYJGLY-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.19
Rot. Bonds3

About 4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2,2-dimethyl-4-oxobutanamide

4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2,2-dimethyl-4-oxobutanamide (PubChem CID 22673450) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2,2-dimethyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2,2-dimethyl-4-oxobutanamide
PubChem CID22673450
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2,2-dimethyl-4-oxobutanamide
SMILESCC(C)(CC(=O)N1CCCC2CCCC=C21)C(N)=O
InChIInChI=1S/C15H24N2O2/c1-15(2,14(16)19)10-13(18)17-9-5-7-11-6-3-4-8-12(11)17/h8,11H,3-7,9-10H2,1-2H3,(H2,16,19)
InChIKeyZICDNYJWKYJGLY-UHFFFAOYSA-N
XLogP2.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2,2-dimethyl-4-oxobutanamide?
The IUPAC name of 4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2,2-dimethyl-4-oxobutanamide (CID 22673450) is 4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2,2-dimethyl-4-oxobutanamide.
What is the SMILES notation for 4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2,2-dimethyl-4-oxobutanamide?
The canonical SMILES for 4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2,2-dimethyl-4-oxobutanamide is CC(C)(CC(=O)N1CCCC2CCCC=C21)C(N)=O.
What is the InChIKey of 4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2,2-dimethyl-4-oxobutanamide?
The InChIKey is ZICDNYJWKYJGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,14(16)19)10-13(18)17-9-5-7-11-6-3-4-8-12(11)17/h8,11H,3-7,9-10H2,1-2H3,(H2,16,19).
What are the key properties of 4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2,2-dimethyl-4-oxobutanamide?
4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2,2-dimethyl-4-oxobutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2,2-dimethyl-4-oxobutanamide is sourced from PubChem (CID 22673450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).