N-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide

C23H19NO6 — CID 8932851

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide
SMILESCOc1ccc(C(=O)c2ccccc2)c(OCC(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C23H19NO6/c1-27-17-8-9-18(23(26)15-5-3-2-4-6-15)20(12-17)28-13-22(25)24-16-7-10-19-21(11-16)30-14-29-19/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyXOJSFMZCRBUQBU-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.67
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide (PubChem CID 8932851) has the molecular formula C23H19NO6 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide
PubChem CID8932851
Molecular FormulaC23H19NO6
Molecular Weight405.41 g/mol
Exact Mass405.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide
SMILESCOc1ccc(C(=O)c2ccccc2)c(OCC(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C23H19NO6/c1-27-17-8-9-18(23(26)15-5-3-2-4-6-15)20(12-17)28-13-22(25)24-16-7-10-19-21(11-16)30-14-29-19/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyXOJSFMZCRBUQBU-UHFFFAOYSA-N
XLogP3.67
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2579090
N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978494
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2510669
N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide
CID 7730837
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid
CID 45418219
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2518258
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenoxy)acetamide
CID 17439785
2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide
CID 7685249
3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide
CID 29454663
4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 45418346
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxyphenoxy)acetamide
CID 2578550

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide (CID 8932851) is N-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide is COc1ccc(C(=O)c2ccccc2)c(OCC(=O)Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide?
The InChIKey is XOJSFMZCRBUQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO6/c1-27-17-8-9-18(23(26)15-5-3-2-4-6-15)20(12-17)28-13-22(25)24-16-7-10-19-21(11-16)30-14-29-19/h2-12H,13-14H2,1H3,(H,24,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide has a molecular weight of 405.41 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide is sourced from PubChem (CID 8932851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).