N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,2-diphenylacetamide

C24H23NO2 — CID 4638837

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,2-diphenylacetamide
SMILESO=C(NCC1OCCc2ccccc21)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO2/c26-24(25-17-22-21-14-8-7-9-18(21)15-16-27-22)23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,22-23H,15-17H2,(H,25,26)
InChIKeyZVORFXDGJSVIOI-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.25
Rot. Bonds5

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,2-diphenylacetamide

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,2-diphenylacetamide (PubChem CID 4638837) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,2-diphenylacetamide
PubChem CID4638837
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,2-diphenylacetamide
SMILESO=C(NCC1OCCc2ccccc21)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO2/c26-24(25-17-22-21-14-8-7-9-18(21)15-16-27-22)23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,22-23H,15-17H2,(H,25,26)
InChIKeyZVORFXDGJSVIOI-UHFFFAOYSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide
CID 2870138
N-[2-(benzyloxy)ethyl]-3,3-diphenylpropanamide
CID 6456612
Benzyl [(diphenylacetyl)amino]acetate
CID 1100660
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-(4-fluoro-phenyl)-acetamide
CID 9980795
N-(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-propyl)-2-phenyl-acetamide
CID 10575012
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-phenyl-acetamide
CID 10788455
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide
CID 2969719
Benzhydryl 2-[(2-phenylacetyl)amino]acetate
CID 1310474
N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-3-phenylpropanamide
CID 10765459
3-phenyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42627884
3-phenyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42627885

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,2-diphenylacetamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,2-diphenylacetamide (CID 4638837) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,2-diphenylacetamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,2-diphenylacetamide is O=C(NCC1OCCc2ccccc21)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,2-diphenylacetamide?
The InChIKey is ZVORFXDGJSVIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c26-24(25-17-22-21-14-8-7-9-18(21)15-16-27-22)23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,22-23H,15-17H2,(H,25,26).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,2-diphenylacetamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,2-diphenylacetamide has a molecular weight of 357.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,2-diphenylacetamide is sourced from PubChem (CID 4638837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).