N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-5-methylbenzamide

C22H28N2O4 — CID 11338096

IUPACN-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-5-methylbenzamide
SMILESCOc1cc2c(cc1OC)CN(CCNC(=O)c1cc(C)ccc1OC)CC2
InChIInChI=1S/C22H28N2O4/c1-15-5-6-19(26-2)18(11-15)22(25)23-8-10-24-9-7-16-12-20(27-3)21(28-4)13-17(16)14-24/h5-6,11-13H,7-10,14H2,1-4H3,(H,23,25)
InChIKeyCKJPETQDQGIHJS-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.81
Rot. Bonds7

About N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-5-methylbenzamide

N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-5-methylbenzamide (PubChem CID 11338096) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-5-methylbenzamide
PubChem CID11338096
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-5-methylbenzamide
SMILESCOc1cc2c(cc1OC)CN(CCNC(=O)c1cc(C)ccc1OC)CC2
InChIInChI=1S/C22H28N2O4/c1-15-5-6-19(26-2)18(11-15)22(25)23-8-10-24-9-7-16-12-20(27-3)21(28-4)13-17(16)14-24/h5-6,11-13H,7-10,14H2,1-4H3,(H,23,25)
InChIKeyCKJPETQDQGIHJS-UHFFFAOYSA-N
XLogP2.81
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-5-methylbenzamide with MolForge

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Related Compounds

Oxyberberine
CID 11066
5-(3-Fluoropropyl)-2,3-dimethoxy-N-(((2S)-1-(2-propen-1-yl)-2-pyrrolidinyl)methyl)benzamide
CID 10021692
RO 116 1148
CID 44391713
8-Oxopalmatine
CID 10926678
Muramine
CID 288122
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
Act-335827
CID 54765113
N-(1-Benzylpiperidin-4-yl)-2,3-dimethoxybenzamide
CID 13314232
2,3-Dimethoxy-N-(1-(4-fluorobenzyl)piperidin-4-yl)benzamide
CID 134002
N-(1-Ethyl-pyrrolidin-2-ylmethyl)-5-(3-fluoro-propyl)-2,3-dimethoxy-benzamide
CID 10043596
Benzamide, N-[4-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)butyl]-2-(2-fluoroethoxy)-5-iodo-3-methoxy-
CID 16126685
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-(2-(18F)fluoroethoxy)-5-iodo-3-methoxy(18F)benzamide
CID 16202156

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-5-methylbenzamide (CID 11338096) is N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-5-methylbenzamide is COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(C)ccc1OC)CC2.
What is the InChIKey of N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-5-methylbenzamide?
The InChIKey is CKJPETQDQGIHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15-5-6-19(26-2)18(11-15)22(25)23-8-10-24-9-7-16-12-20(27-3)21(28-4)13-17(16)14-24/h5-6,11-13H,7-10,14H2,1-4H3,(H,23,25).
What are the key properties of N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-5-methylbenzamide?
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-5-methylbenzamide has a molecular weight of 384.48 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 11338096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).