methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate

C14H20N2O3 — CID 115461745

IUPACmethyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate
SMILESCNC(=O)C(C)NCc1ccccc1CC(=O)OC
InChIInChI=1S/C14H20N2O3/c1-10(14(18)15-2)16-9-12-7-5-4-6-11(12)8-13(17)19-3/h4-7,10,16H,8-9H2,1-3H3,(H,15,18)
InChIKeyVYQSFLWSGVGHGQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.63
Rot. Bonds6

About methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate

methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate (PubChem CID 115461745) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate
PubChem CID115461745
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate
SMILESCNC(=O)C(C)NCc1ccccc1CC(=O)OC
InChIInChI=1S/C14H20N2O3/c1-10(14(18)15-2)16-9-12-7-5-4-6-11(12)8-13(17)19-3/h4-7,10,16H,8-9H2,1-3H3,(H,15,18)
InChIKeyVYQSFLWSGVGHGQ-UHFFFAOYSA-N
XLogP0.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate with MolForge

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Related Compounds

methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate
CID 115461620
N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60702927
methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate
CID 115462242
methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate
CID 115462252
N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54950815
(2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide
CID 103923547
2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide
CID 63324695
methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate
CID 115461702
2-(1H-indol-3-ylmethylamino)-N-methylpropanamide
CID 61057745
methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate
CID 115462288

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate (CID 115461745) is methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate is CNC(=O)C(C)NCc1ccccc1CC(=O)OC.
What is the InChIKey of methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate?
The InChIKey is VYQSFLWSGVGHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(14(18)15-2)16-9-12-7-5-4-6-11(12)8-13(17)19-3/h4-7,10,16H,8-9H2,1-3H3,(H,15,18).
What are the key properties of methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate?
methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate has a molecular weight of 264.32 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate is sourced from PubChem (CID 115461745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).