3,3-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]butanamide

C23H28N2O2 — CID 94482519

IUPAC3,3-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H28N2O2/c1-23(2,3)13-21(26)24-14-22(27)25-15-18-11-7-8-12-19(18)20(16-25)17-9-5-4-6-10-17/h4-12,20H,13-16H2,1-3H3,(H,24,26)/t20-/m1/s1
InChIKeySFZODALVRWATNS-HXUWFJFHSA-N
MW364.49 g/mol
LogP3.71
Rot. Bonds4

About 3,3-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]butanamide

3,3-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]butanamide (PubChem CID 94482519) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]butanamide
PubChem CID94482519
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3,3-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H28N2O2/c1-23(2,3)13-21(26)24-14-22(27)25-15-18-11-7-8-12-19(18)20(16-25)17-9-5-4-6-10-17/h4-12,20H,13-16H2,1-3H3,(H,24,26)/t20-/m1/s1
InChIKeySFZODALVRWATNS-HXUWFJFHSA-N
XLogP3.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]butanamide (CID 94482519) is 3,3-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]butanamide is CC(C)(C)CC(=O)NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1.
What is the InChIKey of 3,3-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]butanamide?
The InChIKey is SFZODALVRWATNS-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-23(2,3)13-21(26)24-14-22(27)25-15-18-11-7-8-12-19(18)20(16-25)17-9-5-4-6-10-17/h4-12,20H,13-16H2,1-3H3,(H,24,26)/t20-/m1/s1.
What are the key properties of 3,3-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]butanamide?
3,3-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]butanamide has a molecular weight of 364.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]butanamide is sourced from PubChem (CID 94482519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).