3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide

C30H36N2O3 — CID 69383178

IUPAC3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide
SMILESCOc1cc2c(cc1OC)CN(CCC(=O)NCCC(c1ccccc1)c1ccccc1)C(C)C2
InChIInChI=1S/C30H36N2O3/c1-22-18-25-19-28(34-2)29(35-3)20-26(25)21-32(22)17-15-30(33)31-16-14-27(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-13,19-20,22,27H,14-18,21H2,1-3H3,(H,31,33)
InChIKeyNBGSYEAMQWRPCM-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.18
Rot. Bonds10

About 3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide

3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide (PubChem CID 69383178) has the molecular formula C30H36N2O3 and a molecular weight of 472.63 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide.

Molecular Properties

Compound Name3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide
PubChem CID69383178
Molecular FormulaC30H36N2O3
Molecular Weight472.63 g/mol
Exact Mass472.27
IUPAC Name3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide
SMILESCOc1cc2c(cc1OC)CN(CCC(=O)NCCC(c1ccccc1)c1ccccc1)C(C)C2
InChIInChI=1S/C30H36N2O3/c1-22-18-25-19-28(34-2)29(35-3)20-26(25)21-32(22)17-15-30(33)31-16-14-27(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-13,19-20,22,27H,14-18,21H2,1-3H3,(H,31,33)
InChIKeyNBGSYEAMQWRPCM-UHFFFAOYSA-N
XLogP5.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide with MolForge

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Related Compounds

8-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylmethoxyoctanamide
CID 86591426
N-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide
CID 69451417
(2R,3R)-3-(4,4-diphenylbutylamino)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 70483974
4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide
CID 31990895
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide
CID 7695606
(2-benzyl-3,4-dihydro-1H-isoquinolin-3-yl)-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 70814980
N-(3,3-diphenylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 2399652
3-(3,5-dimethoxyphenyl)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide
CID 60599544
2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide
CID 42696932
trans-[2-(3,3-diphenylpropylamino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019831
[(3S)-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone
CID 70814889

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide?
The IUPAC name of 3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide (CID 69383178) is 3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide.
What is the SMILES notation for 3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide?
The canonical SMILES for 3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide is COc1cc2c(cc1OC)CN(CCC(=O)NCCC(c1ccccc1)c1ccccc1)C(C)C2.
What is the InChIKey of 3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide?
The InChIKey is NBGSYEAMQWRPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O3/c1-22-18-25-19-28(34-2)29(35-3)20-26(25)21-32(22)17-15-30(33)31-16-14-27(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-13,19-20,22,27H,14-18,21H2,1-3H3,(H,31,33).
What are the key properties of 3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide?
3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide has a molecular weight of 472.63 g/mol, XLogP of 5.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide is sourced from PubChem (CID 69383178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).