methyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate

C16H23NO4 — CID 61006680

IUPACmethyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)C(C)Oc1cccc(C)c1
InChIInChI=1S/C16H23NO4/c1-5-17(10-9-15(18)20-4)16(19)13(3)21-14-8-6-7-12(2)11-14/h6-8,11,13H,5,9-10H2,1-4H3
InChIKeyBDLCNYOQDHZBQE-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.17
Rot. Bonds7

About methyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate

methyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate (PubChem CID 61006680) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
PubChem CID61006680
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)C(C)Oc1cccc(C)c1
InChIInChI=1S/C16H23NO4/c1-5-17(10-9-15(18)20-4)16(19)13(3)21-14-8-6-7-12(2)11-14/h6-8,11,13H,5,9-10H2,1-4H3
InChIKeyBDLCNYOQDHZBQE-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

methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
CID 61030275
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide
CID 115772456
(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 9173438
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide
CID 5211890
methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate
CID 61009469
3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119190845
N-butyl-N-ethyl-2-phenoxypropanamide
CID 2915016
(2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 8960446
methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate
CID 61383641
3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid
CID 54899163

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate (CID 61006680) is methyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate is CCN(CCC(=O)OC)C(=O)C(C)Oc1cccc(C)c1.
What is the InChIKey of methyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate?
The InChIKey is BDLCNYOQDHZBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-17(10-9-15(18)20-4)16(19)13(3)21-14-8-6-7-12(2)11-14/h6-8,11,13H,5,9-10H2,1-4H3.
What are the key properties of methyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate?
methyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate 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 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate is sourced from PubChem (CID 61006680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).