2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride

C21H27ClN2O3 — CID 171667119

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride
SMILESCN(C)CCOc1ccccc1NC(=O)Cc1ccc2c(c1)CCCO2.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-23(2)11-13-26-20-8-4-3-7-18(20)22-21(24)15-16-9-10-19-17(14-16)6-5-12-25-19;/h3-4,7-10,14H,5-6,11-13,15H2,1-2H3,(H,22,24);1H
InChIKeyMEFHESDOXUESBK-UHFFFAOYSA-N
MW390.91 g/mol
LogP3.56
Rot. Bonds7

About 2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride

2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride (PubChem CID 171667119) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride
PubChem CID171667119
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride
SMILESCN(C)CCOc1ccccc1NC(=O)Cc1ccc2c(c1)CCCO2.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-23(2)11-13-26-20-8-4-3-7-18(20)22-21(24)15-16-9-10-19-17(14-16)6-5-12-25-19;/h3-4,7-10,14H,5-6,11-13,15H2,1-2H3,(H,22,24);1H
InChIKeyMEFHESDOXUESBK-UHFFFAOYSA-N
XLogP3.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride 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

3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide
CID 119934663
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 110767511
2-(3,4-dihydro-2H-chromen-6-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110771122
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-fluorophenyl)acetamide
CID 51309459
2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide
CID 87044794
2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110771131
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 51310380
2-(3,4-dichlorophenyl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 17499285
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 55538487
2-(3,4-dihydro-2H-chromen-6-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]acetamide
CID 46970894
N-cyclopentyl-2-(3,4-dihydro-2H-chromen-6-yl)acetamide
CID 110771100
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110784239

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride (CID 171667119) is 2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride is CN(C)CCOc1ccccc1NC(=O)Cc1ccc2c(c1)CCCO2.Cl.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride?
The InChIKey is MEFHESDOXUESBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3.ClH/c1-23(2)11-13-26-20-8-4-3-7-18(20)22-21(24)15-16-9-10-19-17(14-16)6-5-12-25-19;/h3-4,7-10,14H,5-6,11-13,15H2,1-2H3,(H,22,24);1H.
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride?
2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride has a molecular weight of 390.91 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 171667119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).