N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzamide

C41H50N4O4 — CID 161073384

IUPACN-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc3c(c2)CN(C)CC3)cc1.CN1CCc2ccc(NC(=O)c3ccc(OC(C)(C)C)cc3)cc2C1
InChIInChI=1S/C21H26N2O2.C20H24N2O2/c1-21(2,3)25-19-9-6-16(7-10-19)20(24)22-18-8-5-15-11-12-23(4)14-17(15)13-18;1-3-12-24-19-8-5-16(6-9-19)20(23)21-18-7-4-15-10-11-22(2)14-17(15)13-18/h5-10,13H,11-12,14H2,1-4H3,(H,22,24);4-9,13H,3,10-12,14H2,1-2H3,(H,21,23)
InChIKeyUEYIOYUDTSZANK-UHFFFAOYSA-N
MW662.88 g/mol
LogP7.82
Rot. Bonds8

About N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzamide

N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzamide (PubChem CID 161073384) has the molecular formula C41H50N4O4 and a molecular weight of 662.88 g/mol. Its IUPAC name is N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzamide
PubChem CID161073384
Molecular FormulaC41H50N4O4
Molecular Weight662.88 g/mol
Exact Mass662.38
IUPAC NameN-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc3c(c2)CN(C)CC3)cc1.CN1CCc2ccc(NC(=O)c3ccc(OC(C)(C)C)cc3)cc2C1
InChIInChI=1S/C21H26N2O2.C20H24N2O2/c1-21(2,3)25-19-9-6-16(7-10-19)20(24)22-18-8-5-15-11-12-23(4)14-17(15)13-18;1-3-12-24-19-8-5-16(6-9-19)20(23)21-18-7-4-15-10-11-22(2)14-17(15)13-18/h5-10,13H,11-12,14H2,1-4H3,(H,22,24);4-9,13H,3,10-12,14H2,1-2H3,(H,21,23)
InChIKeyUEYIOYUDTSZANK-UHFFFAOYSA-N
XLogP7.82
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.88
LogP ≤ 57.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzamide with MolForge

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Related Compounds

4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597840
4-bromo-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597703
N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-butoxybenzamide
CID 16930710
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide
CID 42423988
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-ethoxybenzamide
CID 16943535
N-(2,3-dihydro-1H-inden-5-yl)-4-ethoxybenzamide
CID 2673454
3-(2,2-dimethylpropanoyl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;hydrochloride
CID 142644342
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 10066617
N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 26167540
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(2,2,2-trifluoroacetyl)benzamide
CID 22597792

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzamide?
The IUPAC name of N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzamide (CID 161073384) is N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzamide.
What is the SMILES notation for N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzamide?
The canonical SMILES for N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc3c(c2)CN(C)CC3)cc1.CN1CCc2ccc(NC(=O)c3ccc(OC(C)(C)C)cc3)cc2C1.
What is the InChIKey of N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzamide?
The InChIKey is UEYIOYUDTSZANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.C20H24N2O2/c1-21(2,3)25-19-9-6-16(7-10-19)20(24)22-18-8-5-15-11-12-23(4)14-17(15)13-18;1-3-12-24-19-8-5-16(6-9-19)20(23)21-18-7-4-15-10-11-22(2)14-17(15)13-18/h5-10,13H,11-12,14H2,1-4H3,(H,22,24);4-9,13H,3,10-12,14H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzamide?
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzamide has a molecular weight of 662.88 g/mol, XLogP of 7.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzamide is sourced from PubChem (CID 161073384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).