methyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate

C17H25NO4 — CID 60521028

IUPACmethyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)CCOc1cccc(C)c1C
InChIInChI=1S/C17H25NO4/c1-5-18(11-9-17(20)21-4)16(19)10-12-22-15-8-6-7-13(2)14(15)3/h6-8H,5,9-12H2,1-4H3
InChIKeySDFCGDDZVGIAQM-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.48
Rot. Bonds8

About methyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate

methyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate (PubChem CID 60521028) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is methyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate
PubChem CID60521028
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Namemethyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)CCOc1cccc(C)c1C
InChIInChI=1S/C17H25NO4/c1-5-18(11-9-17(20)21-4)16(19)10-12-22-15-8-6-7-13(2)14(15)3/h6-8H,5,9-12H2,1-4H3
InChIKeySDFCGDDZVGIAQM-UHFFFAOYSA-N
XLogP2.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771469
2-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]acetic acid
CID 61022363
methyl 4-(2,3-dimethylphenoxy)butanoate
CID 43378041
3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide
CID 79675927
4-O-(2,3-dimethylphenyl) 1-O-methyl butanedioate
CID 94263255
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide
CID 55717458
3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115772075
methyl 4-[2-[2-(2,3-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 17343916
methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 107689507
methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate
CID 78981122
ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate
CID 113100948
methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate
CID 61011300

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate?
The IUPAC name of methyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate (CID 60521028) is methyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate?
The canonical SMILES for methyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate is CCN(CCC(=O)OC)C(=O)CCOc1cccc(C)c1C.
What is the InChIKey of methyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate?
The InChIKey is SDFCGDDZVGIAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-5-18(11-9-17(20)21-4)16(19)10-12-22-15-8-6-7-13(2)14(15)3/h6-8H,5,9-12H2,1-4H3.
What are the key properties of methyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate?
methyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate has a molecular weight of 307.39 g/mol, XLogP of 2.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate is sourced from PubChem (CID 60521028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).