ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate

C15H23NO3 — CID 79006267

IUPACethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(C)COC
InChIInChI=1S/C15H23NO3/c1-4-19-15(17)11-16(13(2)12-18-3)10-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3
InChIKeyNYZRFJWTSKDVQZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.09
Rot. Bonds8

About ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate

ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate (PubChem CID 79006267) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate
PubChem CID79006267
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(C)COC
InChIInChI=1S/C15H23NO3/c1-4-19-15(17)11-16(13(2)12-18-3)10-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3
InChIKeyNYZRFJWTSKDVQZ-UHFFFAOYSA-N
XLogP2.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 18379207
2-[benzyl-(2-ethoxy-2-oxoethyl)amino]butanoic acid
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ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
CID 62028710
3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoic acid
CID 70081456
ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate
CID 120873605
ethyl 2-[benzyl-[(3,4-dimethoxyphenyl)-phenylmethyl]amino]acetate
CID 134869017
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
CID 62026995
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate
CID 61158556
ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate
CID 20799038
ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate
CID 22721819
[4-[[bis(2-ethoxy-2-oxoethyl)amino]methyl]phenyl]-diphenylsulfanium
CID 160930446

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate (CID 79006267) is ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate is CCOC(=O)CN(Cc1ccccc1)C(C)COC.
What is the InChIKey of ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate?
The InChIKey is NYZRFJWTSKDVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-19-15(17)11-16(13(2)12-18-3)10-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3.
What are the key properties of ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate?
ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate has a molecular weight of 265.35 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate is sourced from PubChem (CID 79006267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).