methyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate

C20H25NO5 — CID 141372630

IUPACmethyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C20H25NO5/c1-23-15-11-18(24-2)16(19(12-15)25-3)13-21-17(20(22)26-4)10-14-8-6-5-7-9-14/h5-9,11-12,17,21H,10,13H2,1-4H3
InChIKeyGVFGXNBFUKEZHV-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.59
Rot. Bonds9

About methyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate

methyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate (PubChem CID 141372630) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is methyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
PubChem CID141372630
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Namemethyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C20H25NO5/c1-23-15-11-18(24-2)16(19(12-15)25-3)13-21-17(20(22)26-4)10-14-8-6-5-7-9-14/h5-9,11-12,17,21H,10,13H2,1-4H3
InChIKeyGVFGXNBFUKEZHV-UHFFFAOYSA-N
XLogP2.59
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-enyl]amino]-3-phenylpropanoate
CID 15499312
methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-ynylamino]-3-phenylpropanoate
CID 101373145
2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 110784312
3-sulfanyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoic acid
CID 174778343
methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate
CID 5126515
methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate
CID 2019412
2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid
CID 70091345
benzyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate
CID 10690881
[2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]-5-methoxy-3-(4-nitrophenoxy)phenyl] acetate
CID 25112886
methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 59107325
methyl 3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 60680037
(3S)-3-[(3-hydroxy-4-methoxyphenyl)methylamino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid;methane
CID 157478756

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate?
The IUPAC name of methyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate (CID 141372630) is methyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate.
What is the SMILES notation for methyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate?
The canonical SMILES for methyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate is COC(=O)C(Cc1ccccc1)NCc1c(OC)cc(OC)cc1OC.
What is the InChIKey of methyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate?
The InChIKey is GVFGXNBFUKEZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-23-15-11-18(24-2)16(19(12-15)25-3)13-21-17(20(22)26-4)10-14-8-6-5-7-9-14/h5-9,11-12,17,21H,10,13H2,1-4H3.
What are the key properties of methyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate?
methyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate has a molecular weight of 359.42 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate is sourced from PubChem (CID 141372630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).