ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate

C18H19NO4 — CID 163811694

IUPACethyl 2-[benzyl(phenoxycarbonyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C18H19NO4/c1-2-22-17(20)14-19(13-15-9-5-3-6-10-15)18(21)23-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyPQEFNADHOCFAPW-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.25
Rot. Bonds6

About ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate

ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate (PubChem CID 163811694) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl(phenoxycarbonyl)amino]acetate
PubChem CID163811694
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl 2-[benzyl(phenoxycarbonyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C18H19NO4/c1-2-22-17(20)14-19(13-15-9-5-3-6-10-15)18(21)23-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyPQEFNADHOCFAPW-UHFFFAOYSA-N
XLogP3.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate
CID 120873605
ethyl 2-[benzyl(hexanoyl)amino]acetate
CID 78978694
ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate
CID 78925570
ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate
CID 22721819
ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate
CID 20799038
ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate
CID 51095282
ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate
CID 54979510
ethyl 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetate
CID 140519929
ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
CID 103707142
ethyl 2-[benzyl(pent-4-enoyl)amino]acetate
CID 78917941
ethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate
CID 166245749

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate?
The IUPAC name of ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate (CID 163811694) is ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate is CCOC(=O)CN(Cc1ccccc1)C(=O)Oc1ccccc1.
What is the InChIKey of ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate?
The InChIKey is PQEFNADHOCFAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-2-22-17(20)14-19(13-15-9-5-3-6-10-15)18(21)23-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3.
What are the key properties of ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate?
ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate has a molecular weight of 313.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate is sourced from PubChem (CID 163811694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).