N-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide

C24H23NO4 — CID 110288459

IUPACN-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(CC(CNC(=O)c2ccc3c(c2)OCO3)c2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c1-27-21-10-7-17(8-11-21)13-20(18-5-3-2-4-6-18)15-25-24(26)19-9-12-22-23(14-19)29-16-28-22/h2-12,14,20H,13,15-16H2,1H3,(H,25,26)
InChIKeyHTZMOYAMZSQFEL-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.18
Rot. Bonds7

About N-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide

N-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 110288459) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide
PubChem CID110288459
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC NameN-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(CC(CNC(=O)c2ccc3c(c2)OCO3)c2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c1-27-21-10-7-17(8-11-21)13-20(18-5-3-2-4-6-18)15-25-24(26)19-9-12-22-23(14-19)29-16-28-22/h2-12,14,20H,13,15-16H2,1H3,(H,25,26)
InChIKeyHTZMOYAMZSQFEL-UHFFFAOYSA-N
XLogP4.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenyl-3-pyridin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 110361188
N-benzhydryl-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 42709511
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 30530200
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide
CID 124727869
N-[(2S)-2-(3-methoxyphenyl)-3-phenylpropyl]benzamide
CID 11110747
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 13263263
N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423415
1-(1,3-benzodioxol-5-yl)propan-2-yl 4-methoxybenzoate
CID 23250623
2-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanoic acid
CID 82140726
N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide
CID 92865420
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113055037
N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide
CID 92865458

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide (CID 110288459) is N-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide is COc1ccc(CC(CNC(=O)c2ccc3c(c2)OCO3)c2ccccc2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is HTZMOYAMZSQFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-27-21-10-7-17(8-11-21)13-20(18-5-3-2-4-6-18)15-25-24(26)19-9-12-22-23(14-19)29-16-28-22/h2-12,14,20H,13,15-16H2,1H3,(H,25,26).
What are the key properties of N-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide?
N-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110288459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).