methyl 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoate

C16H25NO2 — CID 62066641

IUPACmethyl 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoate
SMILESCCN(CCC(=O)OC)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H25NO2/c1-6-17(8-7-16(18)19-5)11-15-13(3)9-12(2)10-14(15)4/h9-10H,6-8,11H2,1-5H3
InChIKeyQODUSVNYPRUHSH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.00
Rot. Bonds6

About methyl 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoate

methyl 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoate (PubChem CID 62066641) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is methyl 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoate
PubChem CID62066641
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namemethyl 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoate
SMILESCCN(CCC(=O)OC)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H25NO2/c1-6-17(8-7-16(18)19-5)11-15-13(3)9-12(2)10-14(15)4/h9-10H,6-8,11H2,1-5H3
InChIKeyQODUSVNYPRUHSH-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoate (CID 62066641) is methyl 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoate is CCN(CCC(=O)OC)Cc1c(C)cc(C)cc1C.
What is the InChIKey of methyl 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoate?
The InChIKey is QODUSVNYPRUHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-17(8-7-16(18)19-5)11-15-13(3)9-12(2)10-14(15)4/h9-10H,6-8,11H2,1-5H3.
What are the key properties of methyl 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoate?
methyl 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoate has a molecular weight of 263.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoate is sourced from PubChem (CID 62066641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).