ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate

C16H23NO4 — CID 61022615

IUPACethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C16H23NO4/c1-4-17(12-16(19)21-5-2)15(18)11-8-13-6-9-14(20-3)10-7-13/h6-7,9-10H,4-5,8,11-12H2,1-3H3
InChIKeyDOQACKSDXPRVNJ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.04
Rot. Bonds8

About ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate

ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate (PubChem CID 61022615) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate
PubChem CID61022615
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C16H23NO4/c1-4-17(12-16(19)21-5-2)15(18)11-8-13-6-9-14(20-3)10-7-13/h6-7,9-10H,4-5,8,11-12H2,1-3H3
InChIKeyDOQACKSDXPRVNJ-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate
CID 61011840
N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858628
N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 113469211
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
ethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate
CID 71879831
ethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate
CID 78901900
ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate
CID 78977811
ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate
CID 79848371
ethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate
CID 75405903
3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 120609423
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259
ethyl 2-[2-(4-methoxyphenyl)ethylsulfanyl]acetate
CID 78790188

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate?
The IUPAC name of ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate (CID 61022615) is ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate is CCOC(=O)CN(CC)C(=O)CCc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate?
The InChIKey is DOQACKSDXPRVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-17(12-16(19)21-5-2)15(18)11-8-13-6-9-14(20-3)10-7-13/h6-7,9-10H,4-5,8,11-12H2,1-3H3.
What are the key properties of ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate?
ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate has a molecular weight of 293.36 g/mol, XLogP of 2.04, 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-(4-methoxyphenyl)propanoyl]amino]acetate is sourced from PubChem (CID 61022615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).