N-(1,3-dioxan-5-ylmethyl)acetamide

C7H13NO3 — CID 67192063

IUPACN-(1,3-dioxan-5-ylmethyl)acetamide
SMILESCC(=O)NCC1COCOC1
InChIInChI=1S/C7H13NO3/c1-6(9)8-2-7-3-10-5-11-4-7/h7H,2-5H2,1H3,(H,8,9)
InChIKeyPFEXPQSIRAIWAY-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.26
Rot. Bonds2

About N-(1,3-dioxan-5-ylmethyl)acetamide

N-(1,3-dioxan-5-ylmethyl)acetamide (PubChem CID 67192063) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N-(1,3-dioxan-5-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,3-dioxan-5-ylmethyl)acetamide
PubChem CID67192063
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-(1,3-dioxan-5-ylmethyl)acetamide
SMILESCC(=O)NCC1COCOC1
InChIInChI=1S/C7H13NO3/c1-6(9)8-2-7-3-10-5-11-4-7/h7H,2-5H2,1H3,(H,8,9)
InChIKeyPFEXPQSIRAIWAY-UHFFFAOYSA-N
XLogP-0.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one
CID 143490450
N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide
CID 45119594
N-(thian-4-ylmethyl)acetamide
CID 91415666
methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
N-[(2-methyloxan-4-yl)methyl]acetamide
CID 127727731
N-[[(1R,5S)-7-hydroxy-3-bicyclo[3.3.1]nonanyl]methyl]acetamide
CID 131879829
N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide
CID 90251686
N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 118428826
(oxetan-3-ylmethylamino)methyl acetate
CID 174855463
N-[(2,2-dichlorocyclopropyl)methyl]acetamide
CID 131042043
N-(oxetan-2-ylmethyl)acetamide
CID 166482133

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-5-ylmethyl)acetamide?
The IUPAC name of N-(1,3-dioxan-5-ylmethyl)acetamide (CID 67192063) is N-(1,3-dioxan-5-ylmethyl)acetamide.
What is the SMILES notation for N-(1,3-dioxan-5-ylmethyl)acetamide?
The canonical SMILES for N-(1,3-dioxan-5-ylmethyl)acetamide is CC(=O)NCC1COCOC1.
What is the InChIKey of N-(1,3-dioxan-5-ylmethyl)acetamide?
The InChIKey is PFEXPQSIRAIWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(9)8-2-7-3-10-5-11-4-7/h7H,2-5H2,1H3,(H,8,9).
What are the key properties of N-(1,3-dioxan-5-ylmethyl)acetamide?
N-(1,3-dioxan-5-ylmethyl)acetamide has a molecular weight of 159.18 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-5-ylmethyl)acetamide is sourced from PubChem (CID 67192063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).