methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate

C15H21NO4 — CID 61383353

IUPACmethyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)CCCOc1ccccc1
InChIInChI=1S/C15H21NO4/c1-3-16(12-15(18)19-2)14(17)10-7-11-20-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3
InChIKeyCDJVYTPSXUJTOA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.87
Rot. Bonds8

About methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate

methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate (PubChem CID 61383353) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate
PubChem CID61383353
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)CCCOc1ccccc1
InChIInChI=1S/C15H21NO4/c1-3-16(12-15(18)19-2)14(17)10-7-11-20-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3
InChIKeyCDJVYTPSXUJTOA-UHFFFAOYSA-N
XLogP1.87
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide
CID 25161505
methyl 2-[ethyl(3-phenylsulfanylpropanoyl)amino]acetate
CID 54979234
N-ethyl-4-phenoxy-N-prop-2-enylbutanamide
CID 84558793
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-phenoxybutanamide
CID 25163550
2-[ethyl-[4-(3-methylphenoxy)butanoyl]amino]acetic acid
CID 61022486
methyl 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate
CID 61383505
2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid
CID 62033173
methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755
3-[ethyl-[4-(4-fluorophenoxy)butanoyl]amino]propanoic acid
CID 61006801
methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate
CID 54998119
N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 82354393
ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate
CID 61022394

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate?
The IUPAC name of methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate (CID 61383353) is methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate.
What is the SMILES notation for methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate?
The canonical SMILES for methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate is CCN(CC(=O)OC)C(=O)CCCOc1ccccc1.
What is the InChIKey of methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate?
The InChIKey is CDJVYTPSXUJTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-16(12-15(18)19-2)14(17)10-7-11-20-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3.
What are the key properties of methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate?
methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate has a molecular weight of 279.34 g/mol, XLogP of 1.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate is sourced from PubChem (CID 61383353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).