2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide

C14H18N2O5 — CID 9137733

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide
SMILESCCCCNC(=O)NC(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C14H18N2O5/c1-2-3-6-15-14(18)16-13(17)8-19-10-4-5-11-12(7-10)21-9-20-11/h4-5,7H,2-3,6,8-9H2,1H3,(H2,15,16,17,18)
InChIKeyCZTIRPDEJLVUCS-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.42
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide

2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide (PubChem CID 9137733) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide
PubChem CID9137733
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide
SMILESCCCCNC(=O)NC(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C14H18N2O5/c1-2-3-6-15-14(18)16-13(17)8-19-10-4-5-11-12(7-10)21-9-20-11/h4-5,7H,2-3,6,8-9H2,1H3,(H2,15,16,17,18)
InChIKeyCZTIRPDEJLVUCS-UHFFFAOYSA-N
XLogP1.42
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 2-(1,3-benzodioxol-5-yloxy)acetate
CID 54941607
2-(1,3-benzodioxol-5-yloxy)-N-(ethoxymethyl)acetamide;molecular hydrogen
CID 171659175
4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid
CID 43214758
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921
1-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-pentylurea
CID 52641021
2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
CID 7894443
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pentylurea
CID 47160647
2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen
CID 171659187
2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide
CID 55747511
3-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-butyl-1-methylurea
CID 112975151
1-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-butylurea
CID 27459871

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide (CID 9137733) is 2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide is CCCCNC(=O)NC(=O)COc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide?
The InChIKey is CZTIRPDEJLVUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-2-3-6-15-14(18)16-13(17)8-19-10-4-5-11-12(7-10)21-9-20-11/h4-5,7H,2-3,6,8-9H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide has a molecular weight of 294.31 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide is sourced from PubChem (CID 9137733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).