2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate

C15H23NO3 — CID 91060216

IUPAC2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate
SMILESCC(C)COC(=O)CN(CCO)Cc1ccccc1
InChIInChI=1S/C15H23NO3/c1-13(2)12-19-15(18)11-16(8-9-17)10-14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3
InChIKeyNWXJADWRXHVIDA-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.68
Rot. Bonds8

About 2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate

2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate (PubChem CID 91060216) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate
PubChem CID91060216
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate
SMILESCC(C)COC(=O)CN(CCO)Cc1ccccc1
InChIInChI=1S/C15H23NO3/c1-13(2)12-19-15(18)11-16(8-9-17)10-14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3
InChIKeyNWXJADWRXHVIDA-UHFFFAOYSA-N
XLogP1.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395191
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
ethyl 2-[benzyl(2-fluoroethyl)amino]acetate
CID 80602116
(3S)-5-[benzyl-(2-ethoxy-2-oxoethyl)amino]-3-methylpentanoic acid
CID 174596375
ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 78978637
ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate
CID 78957165
4-[benzyl-(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid
CID 175214762
2-[benzyl(2-hydroxyethyl)amino]-N-methyl-N-phenylacetamide
CID 110881016
2-methylpropyl N-benzyl-N-[3-[benzyl(2-methylpropoxycarbonyl)amino]-2-oxopropyl]carbamate
CID 10504485
ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate
CID 78979113
ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate
CID 62116345

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate?
The IUPAC name of 2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate (CID 91060216) is 2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate.
What is the SMILES notation for 2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate?
The canonical SMILES for 2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate is CC(C)COC(=O)CN(CCO)Cc1ccccc1.
What is the InChIKey of 2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate?
The InChIKey is NWXJADWRXHVIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-13(2)12-19-15(18)11-16(8-9-17)10-14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3.
What are the key properties of 2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate?
2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate has a molecular weight of 265.35 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate is sourced from PubChem (CID 91060216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).