N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide

C17H17NO4 — CID 2932623

IUPACN-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO4/c1-2-14(22-13-6-4-3-5-7-13)17(19)18-12-8-9-15-16(10-12)21-11-20-15/h3-10,14H,2,11H2,1H3,(H,18,19)
InChIKeyBBPABISPFIZBPA-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.21
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide

N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide (PubChem CID 2932623) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide
PubChem CID2932623
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO4/c1-2-14(22-13-6-4-3-5-7-13)17(19)18-12-8-9-15-16(10-12)21-11-20-15/h3-10,14H,2,11H2,1H3,(H,18,19)
InChIKeyBBPABISPFIZBPA-UHFFFAOYSA-N
XLogP3.21
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 40742408
(2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide
CID 92647011
[3-(2-phenoxybutanoylamino)phenyl] acetate
CID 17341786
2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide
CID 45148281
(2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide
CID 8700986
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100545596
(2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide
CID 7369079
N-(1,3-benzodioxol-5-yl)-2-phenylsulfanylbutanamide
CID 23886320
2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide
CID 3643695
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide
CID 53266903
(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
CID 1369955

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide (CID 2932623) is N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide?
The InChIKey is BBPABISPFIZBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-14(22-13-6-4-3-5-7-13)17(19)18-12-8-9-15-16(10-12)21-11-20-15/h3-10,14H,2,11H2,1H3,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide?
N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide has a molecular weight of 299.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide is sourced from PubChem (CID 2932623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).