N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide

C24H23NO2 — CID 55613114

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCC1Cc2ccccc2O1
InChIInChI=1S/C24H23NO2/c26-24(25-17-21-15-20-13-7-8-14-23(20)27-21)16-22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,21-22H,15-17H2,(H,25,26)
InChIKeyNYSQYMDSPWHYBT-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.33
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide (PubChem CID 55613114) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide
PubChem CID55613114
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCC1Cc2ccccc2O1
InChIInChI=1S/C24H23NO2/c26-24(25-17-21-15-20-13-7-8-14-23(20)27-21)16-22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,21-22H,15-17H2,(H,25,26)
InChIKeyNYSQYMDSPWHYBT-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,2-diphenylacetamide
CID 71897392
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide
CID 79210222
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
CID 82012136
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(prop-2-enylamino)acetamide
CID 79279793
2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 39236349
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924277
2-(1-aminocyclopentyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide
CID 64676743
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 87012320
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104043

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide (CID 55613114) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)NCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide?
The InChIKey is NYSQYMDSPWHYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c26-24(25-17-21-15-20-13-7-8-14-23(20)27-21)16-22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,21-22H,15-17H2,(H,25,26).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide has a molecular weight of 357.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide is sourced from PubChem (CID 55613114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).