ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate

C16H23NO4 — CID 61022394

IUPACethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CCOc1cccc(C)c1
InChIInChI=1S/C16H23NO4/c1-4-17(12-16(19)20-5-2)15(18)9-10-21-14-8-6-7-13(3)11-14/h6-8,11H,4-5,9-10,12H2,1-3H3
InChIKeyBKLNCUCOEVNFTN-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.18
Rot. Bonds8

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

ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate (PubChem CID 61022394) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate
PubChem CID61022394
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CCOc1cccc(C)c1
InChIInChI=1S/C16H23NO4/c1-4-17(12-16(19)20-5-2)15(18)9-10-21-14-8-6-7-13(3)11-14/h6-8,11H,4-5,9-10,12H2,1-3H3
InChIKeyBKLNCUCOEVNFTN-UHFFFAOYSA-N
XLogP2.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-(3-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012247
2-[ethyl-[4-(3-methylphenoxy)butanoyl]amino]acetic acid
CID 61022486
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate
CID 54785206
3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 61118042
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 60731406
methyl 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate
CID 61383505
ethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate
CID 61012668
2-(3-methylphenoxy)ethyl butanoate
CID 13247559
3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 61105154
N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 28894175

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate?
The IUPAC name of ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate (CID 61022394) is ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate is CCOC(=O)CN(CC)C(=O)CCOc1cccc(C)c1.
What is the InChIKey of ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate?
The InChIKey is BKLNCUCOEVNFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-17(12-16(19)20-5-2)15(18)9-10-21-14-8-6-7-13(3)11-14/h6-8,11H,4-5,9-10,12H2,1-3H3.
What are the key properties of ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate?
ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate has a molecular weight of 293.36 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate is sourced from PubChem (CID 61022394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).