2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]acetamide

C25H32N2O4 — CID 32841309

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1
InChIInChI=1S/C25H32N2O4/c1-17(2)22(27-12-11-19-7-5-6-8-21(19)15-27)14-26-25(29)16-31-23-10-9-20(18(3)28)13-24(23)30-4/h5-10,13,17,22H,11-12,14-16H2,1-4H3,(H,26,29)/t22-/m0/s1
InChIKeyKIDJPEQIOOBKOY-QFIPXVFZSA-N
MW424.54 g/mol
LogP3.48
Rot. Bonds9

About 2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]acetamide (PubChem CID 32841309) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]acetamide
PubChem CID32841309
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1
InChIInChI=1S/C25H32N2O4/c1-17(2)22(27-12-11-19-7-5-6-8-21(19)15-27)14-26-25(29)16-31-23-10-9-20(18(3)28)13-24(23)30-4/h5-10,13,17,22H,11-12,14-16H2,1-4H3,(H,26,29)/t22-/m0/s1
InChIKeyKIDJPEQIOOBKOY-QFIPXVFZSA-N
XLogP3.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]acetamide 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

4-[2-[[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]amino]-2-oxoethoxy]benzamide
CID 95234085
2-[4-[2-[[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]amino]-2-oxoethoxy]phenyl]acetamide
CID 95586206
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(4-methoxyphenoxy)acetamide
CID 32923763
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine
CID 111067134
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide
CID 51190365
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 30605386
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methoxyphenoxy)acetamide
CID 90328740
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 42906840
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-naphthalen-2-yloxyacetamide
CID 32924567
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3-phenylurea
CID 110403233
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 95018212
2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide
CID 24708758

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]acetamide (CID 32841309) is 2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]acetamide is COc1cc(C(C)=O)ccc1OCC(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]acetamide?
The InChIKey is KIDJPEQIOOBKOY-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-17(2)22(27-12-11-19-7-5-6-8-21(19)15-27)14-26-25(29)16-31-23-10-9-20(18(3)28)13-24(23)30-4/h5-10,13,17,22H,11-12,14-16H2,1-4H3,(H,26,29)/t22-/m0/s1.
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]acetamide has a molecular weight of 424.54 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]acetamide is sourced from PubChem (CID 32841309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).