2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide

C25H24N2O4 — CID 16574742

IUPAC2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide
SMILESO=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C25H24N2O4/c28-24(13-11-19-10-12-22-23(16-19)31-17-30-22)27-21-9-5-4-8-20(21)25(29)26-15-14-18-6-2-1-3-7-18/h1-10,12,16H,11,13-15,17H2,(H,26,29)(H,27,28)
InChIKeyCECXXMDTGHHULF-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.96
Rot. Bonds8

About 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide

2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide (PubChem CID 16574742) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide
PubChem CID16574742
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide
SMILESO=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C25H24N2O4/c28-24(13-11-19-10-12-22-23(16-19)31-17-30-22)27-21-9-5-4-8-20(21)25(29)26-15-14-18-6-2-1-3-7-18/h1-10,12,16H,11,13-15,17H2,(H,26,29)(H,27,28)
InChIKeyCECXXMDTGHHULF-UHFFFAOYSA-N
XLogP3.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 51278293
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide
CID 24555317
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)propanoylamino]benzamide
CID 9441714
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide
CID 17491004
N-[2-(2-phenylethylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18278681
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]benzamide
CID 135616497
2-(7-aminoheptanoylamino)-N-(1,3-benzodioxol-5-ylmethyl)benzamide
CID 119680351
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278
N-[2-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-4-chlorobenzamide
CID 31967410
2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-phenylethyl)benzamide
CID 38112777
N-(2-methoxyethyl)-2-(3-phenylpropanoylamino)benzamide
CID 2206654

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide (CID 16574742) is 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide is O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide?
The InChIKey is CECXXMDTGHHULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c28-24(13-11-19-10-12-22-23(16-19)31-17-30-22)27-21-9-5-4-8-20(21)25(29)26-15-14-18-6-2-1-3-7-18/h1-10,12,16H,11,13-15,17H2,(H,26,29)(H,27,28).
What are the key properties of 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide?
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide has a molecular weight of 416.48 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 16574742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).