N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)propanamide

C23H30N2O3 — CID 55591982

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C23H30N2O3/c1-17(28-21-11-9-20(27-4)10-12-21)22(26)24-16-23(2,3)25-14-13-18-7-5-6-8-19(18)15-25/h5-12,17H,13-16H2,1-4H3,(H,24,26)
InChIKeyWBQTXYGOIYWNKK-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.42
Rot. Bonds7

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)propanamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 55591982) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID55591982
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C23H30N2O3/c1-17(28-21-11-9-20(27-4)10-12-21)22(26)24-16-23(2,3)25-14-13-18-7-5-6-8-19(18)15-25/h5-12,17H,13-16H2,1-4H3,(H,24,26)
InChIKeyWBQTXYGOIYWNKK-UHFFFAOYSA-N
XLogP3.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 32767541
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,5-dimethoxybenzamide
CID 32765219
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-methoxybenzamide
CID 32764937
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2,2-dimethylpropyl)urea
CID 112840167
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]butanamide
CID 119850056
N-(2-methyl-2-morpholin-4-ylpropyl)-2-phenoxypropanamide
CID 51163418
2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]acetamide;dihydrochloride
CID 119850045
2-(4-chlorophenoxy)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]acetamide
CID 32765247
1-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 119850054
3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81368174
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2,3-dimethoxybenzamide
CID 32765213
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55690485

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)propanamide (CID 55591982) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is WBQTXYGOIYWNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17(28-21-11-9-20(27-4)10-12-21)22(26)24-16-23(2,3)25-14-13-18-7-5-6-8-19(18)15-25/h5-12,17H,13-16H2,1-4H3,(H,24,26).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)propanamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 382.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 55591982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).