2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide

C25H26N2O2 — CID 18078382

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(c1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C25H26N2O2/c1-2-29-23-15-9-8-14-22(23)26-25(28)24(20-11-4-3-5-12-20)27-17-16-19-10-6-7-13-21(19)18-27/h3-15,24H,2,16-18H2,1H3,(H,26,28)
InChIKeyXLPCNLKGSVUOMQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.82
Rot. Bonds6

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide (PubChem CID 18078382) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
PubChem CID18078382
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(c1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C25H26N2O2/c1-2-29-23-15-9-8-14-22(23)26-25(28)24(20-11-4-3-5-12-20)27-17-16-19-10-6-7-13-21(19)18-27/h3-15,24H,2,16-18H2,1H3,(H,26,28)
InChIKeyXLPCNLKGSVUOMQ-UHFFFAOYSA-N
XLogP4.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16599413
(2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 7928314
(2R)-N-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 29440121
N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide
CID 111333839
N-(2-ethoxyphenyl)-2-(3-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 18083515
(2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 8774504
N-(2-ethoxyphenyl)-2-(2-methylmorpholin-4-yl)-2-phenylacetamide
CID 46673898
N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 6469538
ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate
CID 51724508
N-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 43048640
(2R)-N-(2-ethoxyphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30629328
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylacetamide
CID 2448741

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide (CID 18078382) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide is CCOc1ccccc1NC(=O)C(c1ccccc1)N1CCc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide?
The InChIKey is XLPCNLKGSVUOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-2-29-23-15-9-8-14-22(23)26-25(28)24(20-11-4-3-5-12-20)27-17-16-19-10-6-7-13-21(19)18-27/h3-15,24H,2,16-18H2,1H3,(H,26,28).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide has a molecular weight of 386.50 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 18078382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).