methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate

C16H23NO4 — CID 78959076

IUPACmethyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C16H23NO4/c1-12-9-13(2)11-14(10-12)16(19)17(7-8-20-3)6-5-15(18)21-4/h9-11H,5-8H2,1-4H3
InChIKeyASFXXDCPWKYEHM-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.96
Rot. Bonds7

About methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate (PubChem CID 78959076) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate
PubChem CID78959076
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C16H23NO4/c1-12-9-13(2)11-14(10-12)16(19)17(7-8-20-3)6-5-15(18)21-4/h9-11H,5-8H2,1-4H3
InChIKeyASFXXDCPWKYEHM-UHFFFAOYSA-N
XLogP1.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78959056
methyl 3-[(3-amino-5-bromobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532935
methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532929
methyl 3-[(3,4-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 103957103
methyl 3-[(3-chloro-5-methylbenzoyl)-ethylamino]propanoate
CID 80973104
methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 107689507
ethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate
CID 42702523
methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115745885
methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78962224
methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate
CID 78959326
methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78958878
methyl 3-[(3-fluoro-5-methylbenzoyl)-methylamino]propanoate
CID 113245544

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate (CID 78959076) is methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)c1cc(C)cc(C)c1.
What is the InChIKey of methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is ASFXXDCPWKYEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12-9-13(2)11-14(10-12)16(19)17(7-8-20-3)6-5-15(18)21-4/h9-11H,5-8H2,1-4H3.
What are the key properties of methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 293.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 78959076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).