2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide

C24H23NO4 — CID 45148281

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide
SMILESCCC(Oc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C24H23NO4/c1-2-21(29-19-12-13-22-23(15-19)28-16-27-22)24(26)25-20-11-7-6-10-18(20)14-17-8-4-3-5-9-17/h3-13,15,21H,2,14,16H2,1H3,(H,25,26)
InChIKeyFAIHCSCFKZGNAU-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.80
Rot. Bonds7

About 2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide

2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide (PubChem CID 45148281) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide
PubChem CID45148281
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide
SMILESCCC(Oc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C24H23NO4/c1-2-21(29-19-12-13-22-23(15-19)28-16-27-22)24(26)25-20-11-7-6-10-18(20)14-17-8-4-3-5-9-17/h3-13,15,21H,2,14,16H2,1H3,(H,25,26)
InChIKeyFAIHCSCFKZGNAU-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide
CID 2932623
2-(1,3-benzodioxol-5-yloxy)butanamide
CID 62901253
2-(1,3-benzodioxol-5-yloxy)-4-phenylbutanoic acid
CID 59215024
2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 45148354
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide
CID 8746784
1,3-benzodioxol-5-yl 2-benzylbenzoate
CID 7913534
3-(1,3-benzodioxol-5-yloxy)pentanoic acid
CID 114990501
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676118
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide
CID 51583917
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide
CID 132760630
(2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide
CID 92647011

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide (CID 45148281) is 2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide is CCC(Oc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide?
The InChIKey is FAIHCSCFKZGNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-2-21(29-19-12-13-22-23(15-19)28-16-27-22)24(26)25-20-11-7-6-10-18(20)14-17-8-4-3-5-9-17/h3-13,15,21H,2,14,16H2,1H3,(H,25,26).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide?
2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide has a molecular weight of 389.45 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide is sourced from PubChem (CID 45148281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).