N-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide

C27H30N2O4 — CID 42362175

IUPACN-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccc(O)c(CN2CCc3ccc(NC(=O)CCc4ccccc4OC)cc3C2)c1
InChIInChI=1S/C27H30N2O4/c1-32-24-10-11-25(30)22(16-24)18-29-14-13-19-7-9-23(15-21(19)17-29)28-27(31)12-8-20-5-3-4-6-26(20)33-2/h3-7,9-11,15-16,30H,8,12-14,17-18H2,1-2H3,(H,28,31)
InChIKeyMUAQUXCBVKQNNB-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.54
Rot. Bonds8

About N-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide

N-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide (PubChem CID 42362175) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide
PubChem CID42362175
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccc(O)c(CN2CCc3ccc(NC(=O)CCc4ccccc4OC)cc3C2)c1
InChIInChI=1S/C27H30N2O4/c1-32-24-10-11-25(30)22(16-24)18-29-14-13-19-7-9-23(15-21(19)17-29)28-27(31)12-8-20-5-3-4-6-26(20)33-2/h3-7,9-11,15-16,30H,8,12-14,17-18H2,1-2H3,(H,28,31)
InChIKeyMUAQUXCBVKQNNB-UHFFFAOYSA-N
XLogP4.54
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)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

N-[2-[(2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide
CID 42558013
3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide
CID 26409001
3-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)propanamide
CID 110729242
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871018
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38073244
3-(2-hydroxyphenyl)-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]propanamide
CID 25432728
2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 60585254
7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
3-(4-methoxyphenyl)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide
CID 16929997
N-[4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-(5-methoxy-9-oxo-10H-acridin-4-yl)acetamide
CID 139770111
N-(3,5-dimethoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 31129802

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide (CID 42362175) is N-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide is COc1ccc(O)c(CN2CCc3ccc(NC(=O)CCc4ccccc4OC)cc3C2)c1.
What is the InChIKey of N-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is MUAQUXCBVKQNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-32-24-10-11-25(30)22(16-24)18-29-14-13-19-7-9-23(15-21(19)17-29)28-27(31)12-8-20-5-3-4-6-26(20)33-2/h3-7,9-11,15-16,30H,8,12-14,17-18H2,1-2H3,(H,28,31).
What are the key properties of N-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide?
N-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 446.55 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 42362175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).