methyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate

C15H22N2O4 — CID 65475947

IUPACmethyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate
SMILESCOC(=O)C(CN(C)Cc1cccc(OC)c1)NC(C)=O
InChIInChI=1S/C15H22N2O4/c1-11(18)16-14(15(19)21-4)10-17(2)9-12-6-5-7-13(8-12)20-3/h5-8,14H,9-10H2,1-4H3,(H,16,18)
InChIKeyMXSSFEORGPIZAZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.80
Rot. Bonds7

About methyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate

methyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate (PubChem CID 65475947) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate
PubChem CID65475947
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate
SMILESCOC(=O)C(CN(C)Cc1cccc(OC)c1)NC(C)=O
InChIInChI=1S/C15H22N2O4/c1-11(18)16-14(15(19)21-4)10-17(2)9-12-6-5-7-13(8-12)20-3/h5-8,14H,9-10H2,1-4H3,(H,16,18)
InChIKeyMXSSFEORGPIZAZ-UHFFFAOYSA-N
XLogP0.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
methyl 2-acetamido-3-[(5-bromothiophen-3-yl)methyl-methylamino]propanoate
CID 65473228
ethyl 3-hydroxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoate
CID 82768923
3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 78907088
methyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate
CID 65444222
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid
CID 65443170
methyl 2-acetamido-3-(3-fluoro-N-methylanilino)propanoate
CID 65473627
methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79620273
1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine
CID 62042937
1-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519984
(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol
CID 95357888

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate?
The IUPAC name of methyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate (CID 65475947) is methyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate is COC(=O)C(CN(C)Cc1cccc(OC)c1)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate?
The InChIKey is MXSSFEORGPIZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(18)16-14(15(19)21-4)10-17(2)9-12-6-5-7-13(8-12)20-3/h5-8,14H,9-10H2,1-4H3,(H,16,18).
What are the key properties of methyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate?
methyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate has a molecular weight of 294.35 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate is sourced from PubChem (CID 65475947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).