ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate

C16H23NO4 — CID 18379207

IUPACethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate
SMILESCCOC(=O)CC(C)N(CC(=O)OC)Cc1ccccc1
InChIInChI=1S/C16H23NO4/c1-4-21-15(18)10-13(2)17(12-16(19)20-3)11-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3
InChIKeyMIMWHTITZDWKAV-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.00
Rot. Bonds8

About ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate

ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate (PubChem CID 18379207) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate
PubChem CID18379207
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate
SMILESCCOC(=O)CC(C)N(CC(=O)OC)Cc1ccccc1
InChIInChI=1S/C16H23NO4/c1-4-21-15(18)10-13(2)17(12-16(19)20-3)11-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3
InChIKeyMIMWHTITZDWKAV-UHFFFAOYSA-N
XLogP2.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoic acid
CID 70081456
ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate
CID 79006267
1-O-ethyl 4-O-methyl (2S)-2-(dibenzylamino)butanedioate
CID 102477689
2-[benzyl-(2-ethoxy-2-oxoethyl)amino]butanoic acid
CID 115536693
methyl (3R)-3-[benzyl(methyl)amino]butanoate
CID 11680162
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl (3S,4S)-4-(dibenzylamino)-3-hydroxy-5-phenylpentanoate
CID 14463509
ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate
CID 120873605
methyl 2-[benzyl-(2-methyl-4-oxopentanoyl)amino]acetate
CID 11975463
ethyl 2-[benzyl-[(3,4-dimethoxyphenyl)-phenylmethyl]amino]acetate
CID 134869017
ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
CID 62028710
3-[benzyl-(4-ethoxy-4-oxobutan-2-yl)amino]pentanoic acid
CID 158794759

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate?
The IUPAC name of ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate (CID 18379207) is ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate.
What is the SMILES notation for ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate?
The canonical SMILES for ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate is CCOC(=O)CC(C)N(CC(=O)OC)Cc1ccccc1.
What is the InChIKey of ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate?
The InChIKey is MIMWHTITZDWKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-21-15(18)10-13(2)17(12-16(19)20-3)11-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3.
What are the key properties of ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate?
ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate has a molecular weight of 293.36 g/mol, XLogP of 2.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate is sourced from PubChem (CID 18379207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).