ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate

C16H23NO4 — CID 134521272

IUPACethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)CC(c1ccccc1)N(CC)C(=O)OCC
InChIInChI=1S/C16H23NO4/c1-4-17(16(19)21-6-3)14(12-15(18)20-5-2)13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3
InChIKeyKDOYTDMGEGQMGC-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.16
Rot. Bonds7

About ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate

ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate (PubChem CID 134521272) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate
PubChem CID134521272
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)CC(c1ccccc1)N(CC)C(=O)OCC
InChIInChI=1S/C16H23NO4/c1-4-17(16(19)21-6-3)14(12-15(18)20-5-2)13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3
InChIKeyKDOYTDMGEGQMGC-UHFFFAOYSA-N
XLogP3.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate
CID 143937695
ethyl 3-[amino-(3-oxo-3-phenylmethoxypropanoyl)amino]-3-phenylpropanoate
CID 142652704
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
methyl 3-[benzyl(methoxycarbonyl)amino]-3-phenylpropanoate
CID 44668557
ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate
CID 64540717
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
ethyl 4-diethoxyphosphoryl-3-phenylbutanoate
CID 50906118
ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate
CID 60638012
(2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid
CID 67681844
ethyl 3-phenyl-3-(1-phenylethylamino)propanoate
CID 76738630
ethyl 4-nitroso-3-phenylpentanoate
CID 91897581
ethyl 5-oxo-3,4,5-triphenylpentanoate
CID 13074227

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate?
The IUPAC name of ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate (CID 134521272) is ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate?
The canonical SMILES for ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate is CCOC(=O)CC(c1ccccc1)N(CC)C(=O)OCC.
What is the InChIKey of ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate?
The InChIKey is KDOYTDMGEGQMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-17(16(19)21-6-3)14(12-15(18)20-5-2)13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3.
What are the key properties of ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate?
ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate has a molecular weight of 293.36 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 134521272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).