N-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide

C26H28N2O2 — CID 69451417

IUPACN-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide
SMILESCOc1cccc2c1CN(CC(=O)NCCC(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C26H28N2O2/c1-30-25-14-8-13-22-17-28(18-24(22)25)19-26(29)27-16-15-23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,23H,15-19H2,1H3,(H,27,29)
InChIKeyIVDWNXRKOWAGRA-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.35
Rot. Bonds8

About N-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide

N-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide (PubChem CID 69451417) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide
PubChem CID69451417
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide
SMILESCOc1cccc2c1CN(CC(=O)NCCC(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C26H28N2O2/c1-30-25-14-8-13-22-17-28(18-24(22)25)19-26(29)27-16-15-23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,23H,15-19H2,1H3,(H,27,29)
InChIKeyIVDWNXRKOWAGRA-UHFFFAOYSA-N
XLogP4.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,4-diphenylbutyl)-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 69447948
N-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 69448825
N-benzhydryl-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 69445488
N-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide
CID 58938041
N-(3,3-diphenylpropyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014704
3-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,3-diphenylpropyl)propanamide
CID 69383178
N-(3,3-diphenylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 2399652
5-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]furan-3-carboxylic acid
CID 146136798
2-[[6-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 23355372
2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide
CID 7695606
N-(3,3-diphenylpropyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 16658889
tert-butyl N-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]carbamate
CID 110456851

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide (CID 69451417) is N-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide is COc1cccc2c1CN(CC(=O)NCCC(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide?
The InChIKey is IVDWNXRKOWAGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-30-25-14-8-13-22-17-28(18-24(22)25)19-26(29)27-16-15-23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,23H,15-19H2,1H3,(H,27,29).
What are the key properties of N-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide?
N-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide has a molecular weight of 400.52 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide is sourced from PubChem (CID 69451417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).