N-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]acetamide

C16H15NO4 — CID 6457936

IUPACN-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H15NO4/c1-11(18)17-13-3-5-14(6-4-13)19-9-12-2-7-15-16(8-12)21-10-20-15/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyFQWRFBSGNMLMQU-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.95
Rot. Bonds4

About N-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]acetamide

N-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]acetamide (PubChem CID 6457936) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]acetamide
PubChem CID6457936
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC NameN-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H15NO4/c1-11(18)17-13-3-5-14(6-4-13)19-9-12-2-7-15-16(8-12)21-10-20-15/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyFQWRFBSGNMLMQU-UHFFFAOYSA-N
XLogP2.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]acetamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]acetamide (CID 6457936) is N-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]acetamide is CC(=O)Nc1ccc(OCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]acetamide?
The InChIKey is FQWRFBSGNMLMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-11(18)17-13-3-5-14(6-4-13)19-9-12-2-7-15-16(8-12)21-10-20-15/h2-8H,9-10H2,1H3,(H,17,18).
What are the key properties of N-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]acetamide?
N-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]acetamide has a molecular weight of 285.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 6457936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).