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

C25H25NO2 — CID 2877812

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCC1OCCc2ccccc21
InChIInChI=1S/C25H25NO2/c27-25(26-18-24-22-14-8-7-13-21(22)15-16-28-24)17-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23-24H,15-18H2,(H,26,27)
InChIKeyROTGDAZFYDBTRJ-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.64
Rot. Bonds6

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

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,3-diphenylpropanamide (PubChem CID 2877812) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,3-diphenylpropanamide
PubChem CID2877812
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCC1OCCc2ccccc21
InChIInChI=1S/C25H25NO2/c27-25(26-18-24-22-14-8-7-13-21(22)15-16-28-24)17-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23-24H,15-18H2,(H,26,27)
InChIKeyROTGDAZFYDBTRJ-UHFFFAOYSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,3-diphenylpropanamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,3-diphenylpropanamide (CID 2877812) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)NCC1OCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,3-diphenylpropanamide?
The InChIKey is ROTGDAZFYDBTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c27-25(26-18-24-22-14-8-7-13-21(22)15-16-28-24)17-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23-24H,15-18H2,(H,26,27).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,3-diphenylpropanamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,3-diphenylpropanamide has a molecular weight of 371.48 g/mol, XLogP of 4.64, 6 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)-3,3-diphenylpropanamide is sourced from PubChem (CID 2877812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).