N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide

C14H19NO4 — CID 129387400

IUPACN-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@H]2COC(C)(C)O2)cc1
InChIInChI=1S/C14H19NO4/c1-10(16)15-11-4-6-12(7-5-11)17-8-13-9-18-14(2,3)19-13/h4-7,13H,8-9H2,1-3H3,(H,15,16)/t13-/m0/s1
InChIKeyHVJGROJNKRYXAU-ZDUSSCGKSA-N
MW265.31 g/mol
LogP2.18
Rot. Bonds4

About N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide

N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide (PubChem CID 129387400) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
PubChem CID129387400
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@H]2COC(C)(C)O2)cc1
InChIInChI=1S/C14H19NO4/c1-10(16)15-11-4-6-12(7-5-11)17-8-13-9-18-14(2,3)19-13/h4-7,13H,8-9H2,1-3H3,(H,15,16)/t13-/m0/s1
InChIKeyHVJGROJNKRYXAU-ZDUSSCGKSA-N
XLogP2.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 737230
2,2-dimethyl-4-[(4-methylphenoxy)methyl]-1,3-dioxolane
CID 66834871
[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone
CID 90480248
1-[4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
CID 92852067
1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol
CID 54150014
(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
CID 57225291
4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide
CID 123686862
(2-methylpropan-2-yl)oxycarbonyl (2R)-2-amino-2-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetate
CID 150284839
4-[3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]propoxy]benzoic acid
CID 67087183
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate
CID 15034748
2,2-dimethyl-4-[[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]methyl]-1,3-dioxolane
CID 89180979
N-[4-[[2-(bromomethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
CID 19762958

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide (CID 129387400) is N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OC[C@H]2COC(C)(C)O2)cc1.
What is the InChIKey of N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide?
The InChIKey is HVJGROJNKRYXAU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(16)15-11-4-6-12(7-5-11)17-8-13-9-18-14(2,3)19-13/h4-7,13H,8-9H2,1-3H3,(H,15,16)/t13-/m0/s1.
What are the key properties of N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide?
N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide has a molecular weight of 265.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 129387400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).