(3-acetamido-2,4-dimethylphenyl)methyl acetate

C13H17NO3 — CID 141195730

IUPAC(3-acetamido-2,4-dimethylphenyl)methyl acetate
SMILESCC(=O)Nc1c(C)ccc(COC(C)=O)c1C
InChIInChI=1S/C13H17NO3/c1-8-5-6-12(7-17-11(4)16)9(2)13(8)14-10(3)15/h5-6H,7H2,1-4H3,(H,14,15)
InChIKeyWGSOOICUPXTWOH-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.32
Rot. Bonds3

About (3-acetamido-2,4-dimethylphenyl)methyl acetate

(3-acetamido-2,4-dimethylphenyl)methyl acetate (PubChem CID 141195730) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (3-acetamido-2,4-dimethylphenyl)methyl acetate.

Molecular Properties

Compound Name(3-acetamido-2,4-dimethylphenyl)methyl acetate
PubChem CID141195730
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(3-acetamido-2,4-dimethylphenyl)methyl acetate
SMILESCC(=O)Nc1c(C)ccc(COC(C)=O)c1C
InChIInChI=1S/C13H17NO3/c1-8-5-6-12(7-17-11(4)16)9(2)13(8)14-10(3)15/h5-6H,7H2,1-4H3,(H,14,15)
InChIKeyWGSOOICUPXTWOH-UHFFFAOYSA-N
XLogP2.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-acetamido-6-iodo-2,4-dimethylphenyl)methyl acetate
CID 59731922
(3,4-difluoro-2-methylphenyl)methyl acetate
CID 130139606
N-(3-iodo-2,6-dimethylphenyl)acetamide
CID 4608715
ethane;(2-methylphenyl)methyl acetate
CID 143177732
(2,4-dihydroxyphenyl)methyl acetate
CID 102447193
(4-chloro-2-methylphenyl)methyl acetate
CID 91715961
(2-propylphenyl)methyl acetate
CID 18363688
N-(3-amino-2,6-dimethylphenyl)butanamide
CID 24711453
5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide
CID 123151118
(3,4-dimethylthiophen-2-yl)methyl acetate
CID 101466791
methyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 19857501
[2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate
CID 12940762

Frequently Asked Questions

What is the IUPAC name of (3-acetamido-2,4-dimethylphenyl)methyl acetate?
The IUPAC name of (3-acetamido-2,4-dimethylphenyl)methyl acetate (CID 141195730) is (3-acetamido-2,4-dimethylphenyl)methyl acetate.
What is the SMILES notation for (3-acetamido-2,4-dimethylphenyl)methyl acetate?
The canonical SMILES for (3-acetamido-2,4-dimethylphenyl)methyl acetate is CC(=O)Nc1c(C)ccc(COC(C)=O)c1C.
What is the InChIKey of (3-acetamido-2,4-dimethylphenyl)methyl acetate?
The InChIKey is WGSOOICUPXTWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-5-6-12(7-17-11(4)16)9(2)13(8)14-10(3)15/h5-6H,7H2,1-4H3,(H,14,15).
What are the key properties of (3-acetamido-2,4-dimethylphenyl)methyl acetate?
(3-acetamido-2,4-dimethylphenyl)methyl acetate has a molecular weight of 235.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamido-2,4-dimethylphenyl)methyl acetate is sourced from PubChem (CID 141195730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).