[2,6-dimethyl-4-(methylcarbamoyloxymethyl)phenyl] 3-acetamido-3-methylbutanoate

C18H26N2O5 — CID 142896929

IUPAC[2,6-dimethyl-4-(methylcarbamoyloxymethyl)phenyl] 3-acetamido-3-methylbutanoate
SMILESCNC(=O)OCc1cc(C)c(OC(=O)CC(C)(C)NC(C)=O)c(C)c1
InChIInChI=1S/C18H26N2O5/c1-11-7-14(10-24-17(23)19-6)8-12(2)16(11)25-15(22)9-18(4,5)20-13(3)21/h7-8H,9-10H2,1-6H3,(H,19,23)(H,20,21)
InChIKeyGZTMXPCSWGJMLP-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.37
Rot. Bonds6

About [2,6-dimethyl-4-(methylcarbamoyloxymethyl)phenyl] 3-acetamido-3-methylbutanoate

[2,6-dimethyl-4-(methylcarbamoyloxymethyl)phenyl] 3-acetamido-3-methylbutanoate (PubChem CID 142896929) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is [2,6-dimethyl-4-(methylcarbamoyloxymethyl)phenyl] 3-acetamido-3-methylbutanoate.

Molecular Properties

Compound Name[2,6-dimethyl-4-(methylcarbamoyloxymethyl)phenyl] 3-acetamido-3-methylbutanoate
PubChem CID142896929
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name[2,6-dimethyl-4-(methylcarbamoyloxymethyl)phenyl] 3-acetamido-3-methylbutanoate
SMILESCNC(=O)OCc1cc(C)c(OC(=O)CC(C)(C)NC(C)=O)c(C)c1
InChIInChI=1S/C18H26N2O5/c1-11-7-14(10-24-17(23)19-6)8-12(2)16(11)25-15(22)9-18(4,5)20-13(3)21/h7-8H,9-10H2,1-6H3,(H,19,23)(H,20,21)
InChIKeyGZTMXPCSWGJMLP-UHFFFAOYSA-N
XLogP2.37
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(acetyloxymethyl)-2,6-dimethylphenyl] 2-(methylamino)propanoate
CID 59656939
[4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-2,6-dimethylphenyl] 2-(propanoylamino)acetate
CID 58962152
bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate
CID 10325443
tert-butyl [4-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methyl]-2,6-dimethylphenyl] carbonate
CID 163440793
[3,5-dimethyl-4-[[3-[2-[2-(methylamino)ethoxy]ethylamino]-3-oxopropyl]carbamoyloxy]phenyl]methyl acetate
CID 59656975
ethyl 2-acetamido-2-(phenylmethoxycarbonylamino)propanoate
CID 86743096
(2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate
CID 32993567
[4-(chloroamino)phenyl]methyl N-methylcarbamate
CID 139307114
[3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl acetate
CID 59656937
(4-acetamidophenyl)methyl N-tert-butylcarbamate
CID 155455042
N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide
CID 139120888
[2,6-dimethyl-4-(propanoylamino)phenyl] acetate
CID 22905662

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethyl-4-(methylcarbamoyloxymethyl)phenyl] 3-acetamido-3-methylbutanoate?
The IUPAC name of [2,6-dimethyl-4-(methylcarbamoyloxymethyl)phenyl] 3-acetamido-3-methylbutanoate (CID 142896929) is [2,6-dimethyl-4-(methylcarbamoyloxymethyl)phenyl] 3-acetamido-3-methylbutanoate.
What is the SMILES notation for [2,6-dimethyl-4-(methylcarbamoyloxymethyl)phenyl] 3-acetamido-3-methylbutanoate?
The canonical SMILES for [2,6-dimethyl-4-(methylcarbamoyloxymethyl)phenyl] 3-acetamido-3-methylbutanoate is CNC(=O)OCc1cc(C)c(OC(=O)CC(C)(C)NC(C)=O)c(C)c1.
What is the InChIKey of [2,6-dimethyl-4-(methylcarbamoyloxymethyl)phenyl] 3-acetamido-3-methylbutanoate?
The InChIKey is GZTMXPCSWGJMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-11-7-14(10-24-17(23)19-6)8-12(2)16(11)25-15(22)9-18(4,5)20-13(3)21/h7-8H,9-10H2,1-6H3,(H,19,23)(H,20,21).
What are the key properties of [2,6-dimethyl-4-(methylcarbamoyloxymethyl)phenyl] 3-acetamido-3-methylbutanoate?
[2,6-dimethyl-4-(methylcarbamoyloxymethyl)phenyl] 3-acetamido-3-methylbutanoate has a molecular weight of 350.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethyl-4-(methylcarbamoyloxymethyl)phenyl] 3-acetamido-3-methylbutanoate is sourced from PubChem (CID 142896929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).