[4-(dimethylamino)-3,5-dimethylphenyl] N-acetyl-N-methylcarbamate

C14H20N2O3 — CID 21115354

IUPAC[4-(dimethylamino)-3,5-dimethylphenyl] N-acetyl-N-methylcarbamate
SMILESCC(=O)N(C)C(=O)Oc1cc(C)c(N(C)C)c(C)c1
InChIInChI=1S/C14H20N2O3/c1-9-7-12(8-10(2)13(9)15(4)5)19-14(18)16(6)11(3)17/h7-8H,1-6H3
InChIKeyRRTKZOWUBCJRQF-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.35
Rot. Bonds2

About [4-(dimethylamino)-3,5-dimethylphenyl] N-acetyl-N-methylcarbamate

[4-(dimethylamino)-3,5-dimethylphenyl] N-acetyl-N-methylcarbamate (PubChem CID 21115354) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [4-(dimethylamino)-3,5-dimethylphenyl] N-acetyl-N-methylcarbamate.

Molecular Properties

Compound Name[4-(dimethylamino)-3,5-dimethylphenyl] N-acetyl-N-methylcarbamate
PubChem CID21115354
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[4-(dimethylamino)-3,5-dimethylphenyl] N-acetyl-N-methylcarbamate
SMILESCC(=O)N(C)C(=O)Oc1cc(C)c(N(C)C)c(C)c1
InChIInChI=1S/C14H20N2O3/c1-9-7-12(8-10(2)13(9)15(4)5)19-14(18)16(6)11(3)17/h7-8H,1-6H3
InChIKeyRRTKZOWUBCJRQF-UHFFFAOYSA-N
XLogP2.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3,5-dimethylphenyl] N-acetyl-N-methylcarbamate?
The IUPAC name of [4-(dimethylamino)-3,5-dimethylphenyl] N-acetyl-N-methylcarbamate (CID 21115354) is [4-(dimethylamino)-3,5-dimethylphenyl] N-acetyl-N-methylcarbamate.
What is the SMILES notation for [4-(dimethylamino)-3,5-dimethylphenyl] N-acetyl-N-methylcarbamate?
The canonical SMILES for [4-(dimethylamino)-3,5-dimethylphenyl] N-acetyl-N-methylcarbamate is CC(=O)N(C)C(=O)Oc1cc(C)c(N(C)C)c(C)c1.
What is the InChIKey of [4-(dimethylamino)-3,5-dimethylphenyl] N-acetyl-N-methylcarbamate?
The InChIKey is RRTKZOWUBCJRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-7-12(8-10(2)13(9)15(4)5)19-14(18)16(6)11(3)17/h7-8H,1-6H3.
What are the key properties of [4-(dimethylamino)-3,5-dimethylphenyl] N-acetyl-N-methylcarbamate?
[4-(dimethylamino)-3,5-dimethylphenyl] N-acetyl-N-methylcarbamate has a molecular weight of 264.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-3,5-dimethylphenyl] N-acetyl-N-methylcarbamate is sourced from PubChem (CID 21115354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).