4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide

C24H30N2O3 — CID 18382619

IUPAC4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)CN(C)CC3(C)C)cc1C(=O)C(C)C
InChIInChI=1S/C24H30N2O3/c1-15(2)22(27)19-12-16(7-10-21(19)29-6)23(28)25-18-8-9-20-17(11-18)13-26(5)14-24(20,3)4/h7-12,15H,13-14H2,1-6H3,(H,25,28)
InChIKeyHXUHJYLFDNDVEN-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.51
Rot. Bonds5

About 4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide

4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide (PubChem CID 18382619) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide
PubChem CID18382619
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)CN(C)CC3(C)C)cc1C(=O)C(C)C
InChIInChI=1S/C24H30N2O3/c1-15(2)22(27)19-12-16(7-10-21(19)29-6)23(28)25-18-8-9-20-17(11-18)13-26(5)14-24(20,3)4/h7-12,15H,13-14H2,1-6H3,(H,25,28)
InChIKeyHXUHJYLFDNDVEN-UHFFFAOYSA-N
XLogP4.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-methoxy-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide
CID 18382712
5-bromo-2-methoxy-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide
CID 162208772
3-cyano-4-propan-2-yl-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide
CID 57266941
4-ethyl-3-(trifluoromethyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide;hydrochloride
CID 18382612
3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride
CID 23508152
3,4-dimethoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943152
2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 18687364
4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1,1,2,2,2-pentafluoroethyl)benzamide;hydrochloride
CID 22597764
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride
CID 23508175
3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94646312
4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18940679

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide?
The IUPAC name of 4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide (CID 18382619) is 4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide.
What is the SMILES notation for 4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide?
The canonical SMILES for 4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide is COc1ccc(C(=O)Nc2ccc3c(c2)CN(C)CC3(C)C)cc1C(=O)C(C)C.
What is the InChIKey of 4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide?
The InChIKey is HXUHJYLFDNDVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-15(2)22(27)19-12-16(7-10-21(19)29-6)23(28)25-18-8-9-20-17(11-18)13-26(5)14-24(20,3)4/h7-12,15H,13-14H2,1-6H3,(H,25,28).
What are the key properties of 4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide?
4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide is sourced from PubChem (CID 18382619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).