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

C14H17NO4 — CID 110426347

IUPACN-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide
SMILESO=C(CC1CCCCO1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H17NO4/c16-14(8-11-3-1-2-6-17-11)15-10-4-5-12-13(7-10)19-9-18-12/h4-5,7,11H,1-3,6,8-9H2,(H,15,16)
InChIKeyBZIUVAGWEISNFQ-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.31
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide (PubChem CID 110426347) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide
PubChem CID110426347
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide
SMILESO=C(CC1CCCCO1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H17NO4/c16-14(8-11-3-1-2-6-17-11)15-10-4-5-12-13(7-10)19-9-18-12/h4-5,7,11H,1-3,6,8-9H2,(H,15,16)
InChIKeyBZIUVAGWEISNFQ-UHFFFAOYSA-N
XLogP2.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
CID 1072428
2-cyclopentyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 47097716
2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid
CID 107792703
N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide
CID 9265362
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597
2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110423473
1-(1,3-benzodioxol-5-yl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 8619202
N-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide
CID 99718437
3-(1,3-benzodioxol-5-yl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125167071
1-N'-(1,3-benzodioxol-5-yl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973367
N-(1,3-benzodioxol-5-yl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9037034
N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide
CID 106910580

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide (CID 110426347) is N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide is O=C(CC1CCCCO1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide?
The InChIKey is BZIUVAGWEISNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-14(8-11-3-1-2-6-17-11)15-10-4-5-12-13(7-10)19-9-18-12/h4-5,7,11H,1-3,6,8-9H2,(H,15,16).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide has a molecular weight of 263.29 g/mol, XLogP of 2.31, 3 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-(oxan-2-yl)acetamide is sourced from PubChem (CID 110426347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).