methyl 2-[3-(4-methylphenoxy)propanoyl-propan-2-ylamino]acetate

C16H23NO4 — CID 60779371

IUPACmethyl 2-[3-(4-methylphenoxy)propanoyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)CCOc1ccc(C)cc1)C(C)C
InChIInChI=1S/C16H23NO4/c1-12(2)17(11-16(19)20-4)15(18)9-10-21-14-7-5-13(3)6-8-14/h5-8,12H,9-11H2,1-4H3
InChIKeyGTGXCEQOEMZQFC-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.17
Rot. Bonds7

About methyl 2-[3-(4-methylphenoxy)propanoyl-propan-2-ylamino]acetate

methyl 2-[3-(4-methylphenoxy)propanoyl-propan-2-ylamino]acetate (PubChem CID 60779371) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 2-[3-(4-methylphenoxy)propanoyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(4-methylphenoxy)propanoyl-propan-2-ylamino]acetate
PubChem CID60779371
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 2-[3-(4-methylphenoxy)propanoyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)CCOc1ccc(C)cc1)C(C)C
InChIInChI=1S/C16H23NO4/c1-12(2)17(11-16(19)20-4)15(18)9-10-21-14-7-5-13(3)6-8-14/h5-8,12H,9-11H2,1-4H3
InChIKeyGTGXCEQOEMZQFC-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-3-(4-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 43573753
N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide
CID 112548211
methyl 3-[methyl-[4-(4-methylphenoxy)butanoyl]amino]propanoate
CID 61030939
2-[methyl-[3-(4-methylphenoxy)propanoyl]amino]acetic acid
CID 43239733
methyl 2-[3-phenylsulfanylpropanoyl(propan-2-yl)amino]acetate
CID 60767024
methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate
CID 60946562
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 60938139
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide
CID 9492849
methyl 2-[3-(4-methylphenyl)prop-2-enoyl-propan-2-ylamino]acetate
CID 76880000
N-methoxy-N-methyl-4-(4-methylphenoxy)butanamide
CID 23551672
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 100719038
N-methoxy-3-(4-methylphenoxy)propanamide
CID 60716976

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-methylphenoxy)propanoyl-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[3-(4-methylphenoxy)propanoyl-propan-2-ylamino]acetate (CID 60779371) is methyl 2-[3-(4-methylphenoxy)propanoyl-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[3-(4-methylphenoxy)propanoyl-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[3-(4-methylphenoxy)propanoyl-propan-2-ylamino]acetate is COC(=O)CN(C(=O)CCOc1ccc(C)cc1)C(C)C.
What is the InChIKey of methyl 2-[3-(4-methylphenoxy)propanoyl-propan-2-ylamino]acetate?
The InChIKey is GTGXCEQOEMZQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12(2)17(11-16(19)20-4)15(18)9-10-21-14-7-5-13(3)6-8-14/h5-8,12H,9-11H2,1-4H3.
What are the key properties of methyl 2-[3-(4-methylphenoxy)propanoyl-propan-2-ylamino]acetate?
methyl 2-[3-(4-methylphenoxy)propanoyl-propan-2-ylamino]acetate has a molecular weight of 293.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-methylphenoxy)propanoyl-propan-2-ylamino]acetate is sourced from PubChem (CID 60779371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).