[3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl acetate

C14H20N2O3 — CID 59656937

IUPAC[3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl acetate
SMILESCNCC(=O)Nc1c(C)cc(COC(C)=O)cc1C
InChIInChI=1S/C14H20N2O3/c1-9-5-12(8-19-11(3)17)6-10(2)14(9)16-13(18)7-15-4/h5-6,15H,7-8H2,1-4H3,(H,16,18)
InChIKeyYQDIXHUQYIKSME-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.52
Rot. Bonds5

About [3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl acetate

[3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl acetate (PubChem CID 59656937) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl acetate.

Molecular Properties

Compound Name[3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl acetate
PubChem CID59656937
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl acetate
SMILESCNCC(=O)Nc1c(C)cc(COC(C)=O)cc1C
InChIInChI=1S/C14H20N2O3/c1-9-5-12(8-19-11(3)17)6-10(2)14(9)16-13(18)7-15-4/h5-6,15H,7-8H2,1-4H3,(H,16,18)
InChIKeyYQDIXHUQYIKSME-UHFFFAOYSA-N
XLogP1.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl carbonobromidate
CID 89297635
CID 89319204
CID 89319204
[3,5-dimethyl-4-(propan-2-ylamino)phenyl]methyl acetate
CID 59656979
[3,5-dimethyl-4-[3-(methylamino)propanoylamino]phenyl]methyl carbonobromidate
CID 89297637
[3,5-dimethyl-4-[[4-methyl-2-(methylamino)pentanoyl]amino]phenyl]methyl acetate
CID 59656956
CID 89319261
CID 89319261
N-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide
CID 145028711
[4-(acetyloxymethyl)-2,6-dimethylphenyl] 2-(methylamino)propanoate
CID 59656939
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 78775976
(4-hydrazinylphenyl)methyl acetate
CID 123892480
[2-(2,6-dimethylanilino)-2-oxoethyl] acetate
CID 716418

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl acetate?
The IUPAC name of [3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl acetate (CID 59656937) is [3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl acetate.
What is the SMILES notation for [3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl acetate?
The canonical SMILES for [3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl acetate is CNCC(=O)Nc1c(C)cc(COC(C)=O)cc1C.
What is the InChIKey of [3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl acetate?
The InChIKey is YQDIXHUQYIKSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-5-12(8-19-11(3)17)6-10(2)14(9)16-13(18)7-15-4/h5-6,15H,7-8H2,1-4H3,(H,16,18).
What are the key properties of [3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl acetate?
[3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl acetate has a molecular weight of 264.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-[[2-(methylamino)acetyl]amino]phenyl]methyl acetate is sourced from PubChem (CID 59656937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).