3-cyano-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide

C23H27N3O — CID 57266941

IUPAC3-cyano-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc3c(c2)CN(C)CC3(C)C)cc1C#N
InChIInChI=1S/C23H27N3O/c1-15(2)20-8-6-16(10-17(20)12-24)22(27)25-19-7-9-21-18(11-19)13-26(5)14-23(21,3)4/h6-11,15H,13-14H2,1-5H3,(H,25,27)
InChIKeyCKVJOFALHNRRTG-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.66
Rot. Bonds3

About 3-cyano-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide

3-cyano-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide (PubChem CID 57266941) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-cyano-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide.

Molecular Properties

Compound Name3-cyano-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide
PubChem CID57266941
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name3-cyano-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc3c(c2)CN(C)CC3(C)C)cc1C#N
InChIInChI=1S/C23H27N3O/c1-15(2)20-8-6-16(10-17(20)12-24)22(27)25-19-7-9-21-18(11-19)13-26(5)14-23(21,3)4/h6-11,15H,13-14H2,1-5H3,(H,25,27)
InChIKeyCKVJOFALHNRRTG-UHFFFAOYSA-N
XLogP4.66
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(8-ethyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)-4-propan-2-ylbenzamide
CID 18382574
3-bromo-4-methoxy-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide
CID 18382712
4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide
CID 18382619
4-ethyl-3-(trifluoromethyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide;hydrochloride
CID 18382612
5-bromo-2-methoxy-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide
CID 162208772
4-bromo-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597703
4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597840
N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitrobenzamide
CID 16943068
N-(2-methyl-1,3-dihydroisoindol-5-yl)-4-(1-phenylethylcarbamoylamino)benzamide
CID 130447144
4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide
CID 18952439
3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride
CID 23508152
4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride
CID 23508175

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide?
The IUPAC name of 3-cyano-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide (CID 57266941) is 3-cyano-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide.
What is the SMILES notation for 3-cyano-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide?
The canonical SMILES for 3-cyano-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide is CC(C)c1ccc(C(=O)Nc2ccc3c(c2)CN(C)CC3(C)C)cc1C#N.
What is the InChIKey of 3-cyano-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide?
The InChIKey is CKVJOFALHNRRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-15(2)20-8-6-16(10-17(20)12-24)22(27)25-19-7-9-21-18(11-19)13-26(5)14-23(21,3)4/h6-11,15H,13-14H2,1-5H3,(H,25,27).
What are the key properties of 3-cyano-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide?
3-cyano-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide has a molecular weight of 361.49 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide is sourced from PubChem (CID 57266941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).