(3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide

C23H28N2O2 — CID 97436612

IUPAC(3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)(CNC(=O)[C@H]1COc2ccccc2C1)N1CCc2ccccc2C1
InChIInChI=1S/C23H28N2O2/c1-23(2,25-12-11-17-7-3-4-9-19(17)14-25)16-24-22(26)20-13-18-8-5-6-10-21(18)27-15-20/h3-10,20H,11-16H2,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyRBVMTLOALOIARH-HXUWFJFHSA-N
MW364.49 g/mol
LogP3.19
Rot. Bonds4

About (3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97436612) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97436612
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)(CNC(=O)[C@H]1COc2ccccc2C1)N1CCc2ccccc2C1
InChIInChI=1S/C23H28N2O2/c1-23(2,25-12-11-17-7-3-4-9-19(17)14-25)16-24-22(26)20-13-18-8-5-6-10-21(18)27-15-20/h3-10,20H,11-16H2,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyRBVMTLOALOIARH-HXUWFJFHSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide 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-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 32767562
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]piperidine-3-carboxamide
CID 119849996
4-(3,4-dihydro-2H-chromene-3-carbonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66003902
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]piperidine-3-carboxamide;dihydrochloride
CID 119849995
N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 109380896
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2,2-dimethylpropyl)urea
CID 112840167
N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578144
cis-(1S,3R)-3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065417
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 32764270
2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]acetamide;dihydrochloride
CID 119850045
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride
CID 119850057

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 97436612) is (3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide is CC(C)(CNC(=O)[C@H]1COc2ccccc2C1)N1CCc2ccccc2C1.
What is the InChIKey of (3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is RBVMTLOALOIARH-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-23(2,25-12-11-17-7-3-4-9-19(17)14-25)16-24-22(26)20-13-18-8-5-6-10-21(18)27-15-20/h3-10,20H,11-16H2,1-2H3,(H,24,26)/t20-/m1/s1.
What are the key properties of (3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97436612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).