methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate

C14H21NO3 — CID 60965925

IUPACmethyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate
SMILESCCOc1ccccc1CN(C)CCC(=O)OC
InChIInChI=1S/C14H21NO3/c1-4-18-13-8-6-5-7-12(13)11-15(2)10-9-14(16)17-3/h5-8H,4,9-11H2,1-3H3
InChIKeyIZEPPVPOVFUVTC-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.08
Rot. Bonds7

About methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate

methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate (PubChem CID 60965925) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate
PubChem CID60965925
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate
SMILESCCOc1ccccc1CN(C)CCC(=O)OC
InChIInChI=1S/C14H21NO3/c1-4-18-13-8-6-5-7-12(13)11-15(2)10-9-14(16)17-3/h5-8H,4,9-11H2,1-3H3
InChIKeyIZEPPVPOVFUVTC-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]propanoate
CID 62012473
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 60966567
ethyl 3-[[2-(2-methoxy-2-oxoethyl)phenyl]methyl-methylamino]propanoate
CID 115463319
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511
2-[2-[[(4-methoxy-4-oxobutyl)-methylamino]methyl]phenyl]acetic acid
CID 115463313
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
CID 43406380
N-(3,5-dimethylphenyl)-2-[(2-ethoxyphenyl)methyl-methylamino]acetamide
CID 78899721
(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
CID 176892707
1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280687

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate?
The IUPAC name of methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate (CID 60965925) is methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate is CCOc1ccccc1CN(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate?
The InChIKey is IZEPPVPOVFUVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-18-13-8-6-5-7-12(13)11-15(2)10-9-14(16)17-3/h5-8H,4,9-11H2,1-3H3.
What are the key properties of methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate?
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate has a molecular weight of 251.33 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate is sourced from PubChem (CID 60965925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).