N-[5-(1,3-dioxan-2-yl)-2-methylphenyl]acetamide

C13H17NO3 — CID 100818174

IUPACN-[5-(1,3-dioxan-2-yl)-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C2OCCCO2)ccc1C
InChIInChI=1S/C13H17NO3/c1-9-4-5-11(8-12(9)14-10(2)15)13-16-6-3-7-17-13/h4-5,8,13H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyAKUFXKVBKHTHPV-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.39
Rot. Bonds2

About N-[5-(1,3-dioxan-2-yl)-2-methylphenyl]acetamide

N-[5-(1,3-dioxan-2-yl)-2-methylphenyl]acetamide (PubChem CID 100818174) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[5-(1,3-dioxan-2-yl)-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(1,3-dioxan-2-yl)-2-methylphenyl]acetamide
PubChem CID100818174
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[5-(1,3-dioxan-2-yl)-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C2OCCCO2)ccc1C
InChIInChI=1S/C13H17NO3/c1-9-4-5-11(8-12(9)14-10(2)15)13-16-6-3-7-17-13/h4-5,8,13H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyAKUFXKVBKHTHPV-UHFFFAOYSA-N
XLogP2.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 164856832
CID 164856832
3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
CID 86835564
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CID 110706691
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide
CID 163853434
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150
(2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 94183755
N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63940200
2-(4-methyl-3-methylsulfanylphenyl)-1,3-dioxolane
CID 11481242
N-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide
CID 18316769
cis-(1S,2R)-2-[(3-acetamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 136582322

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-dioxan-2-yl)-2-methylphenyl]acetamide?
The IUPAC name of N-[5-(1,3-dioxan-2-yl)-2-methylphenyl]acetamide (CID 100818174) is N-[5-(1,3-dioxan-2-yl)-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-(1,3-dioxan-2-yl)-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-(1,3-dioxan-2-yl)-2-methylphenyl]acetamide is CC(=O)Nc1cc(C2OCCCO2)ccc1C.
What is the InChIKey of N-[5-(1,3-dioxan-2-yl)-2-methylphenyl]acetamide?
The InChIKey is AKUFXKVBKHTHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-4-5-11(8-12(9)14-10(2)15)13-16-6-3-7-17-13/h4-5,8,13H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-[5-(1,3-dioxan-2-yl)-2-methylphenyl]acetamide?
N-[5-(1,3-dioxan-2-yl)-2-methylphenyl]acetamide has a molecular weight of 235.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-dioxan-2-yl)-2-methylphenyl]acetamide is sourced from PubChem (CID 100818174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).