methyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate

C15H23NO5 — CID 60796374

IUPACmethyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate
SMILESCCCNC(C(=O)OC)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C15H23NO5/c1-6-7-16-14(15(17)21-5)13-11(19-3)8-10(18-2)9-12(13)20-4/h8-9,14,16H,6-7H2,1-5H3
InChIKeyDEHISJNXHMVBPS-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.93
Rot. Bonds8

About methyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate

methyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate (PubChem CID 60796374) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate
PubChem CID60796374
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Namemethyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate
SMILESCCCNC(C(=O)OC)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C15H23NO5/c1-6-7-16-14(15(17)21-5)13-11(19-3)8-10(18-2)9-12(13)20-4/h8-9,14,16H,6-7H2,1-5H3
InChIKeyDEHISJNXHMVBPS-UHFFFAOYSA-N
XLogP1.93
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate
CID 60787918
methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate
CID 14604184
2-(cyclopropylmethylamino)-2-(2,4,6-trimethoxyphenyl)acetamide
CID 60995248
2-(2-methylpropylamino)-2-(2,4,6-trimethoxyphenyl)acetic acid
CID 61001191
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637
1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
CID 47330110
methyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate
CID 113463447
2-(6-methoxynaphthalen-2-yl)-2-(propylamino)acetamide
CID 60795776
methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate
CID 54977746
ethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate
CID 79369051
2-hydroxy-2-(2,4,6-trimethoxyphenyl)acetamide
CID 62225648
ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate
CID 102362132

Frequently Asked Questions

What is the IUPAC name of methyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate?
The IUPAC name of methyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate (CID 60796374) is methyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate?
The canonical SMILES for methyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate is CCCNC(C(=O)OC)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of methyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate?
The InChIKey is DEHISJNXHMVBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-6-7-16-14(15(17)21-5)13-11(19-3)8-10(18-2)9-12(13)20-4/h8-9,14,16H,6-7H2,1-5H3.
What are the key properties of methyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate?
methyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate has a molecular weight of 297.35 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate is sourced from PubChem (CID 60796374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).