tert-butyl 2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate

C21H33NO5 — CID 67345917

IUPACtert-butyl 2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate
SMILESCC(C)(C)OC(=O)CNC(C)(COCc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H33NO5/c1-19(2,3)26-17(23)13-22-21(7,18(24)27-20(4,5)6)15-25-14-16-11-9-8-10-12-16/h8-12,22H,13-15H2,1-7H3
InChIKeyVGQBTTXFVQZQMW-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.23
Rot. Bonds8

About tert-butyl 2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate

tert-butyl 2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate (PubChem CID 67345917) has the molecular formula C21H33NO5 and a molecular weight of 379.50 g/mol. Its IUPAC name is tert-butyl 2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate.

Molecular Properties

Compound Nametert-butyl 2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate
PubChem CID67345917
Molecular FormulaC21H33NO5
Molecular Weight379.50 g/mol
Exact Mass379.24
IUPAC Nametert-butyl 2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate
SMILESCC(C)(C)OC(=O)CNC(C)(COCc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H33NO5/c1-19(2,3)26-17(23)13-22-21(7,18(24)27-20(4,5)6)15-25-14-16-11-9-8-10-12-16/h8-12,22H,13-15H2,1-7H3
InChIKeyVGQBTTXFVQZQMW-UHFFFAOYSA-N
XLogP3.23
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate with MolForge

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Related Compounds

2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxymethyl)propanoic acid
CID 22557178
1-O-tert-butyl 4-O-ethyl 2-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethylamino]ethylamino]-2-(phenylmethoxymethyl)butanedioate
CID 57032660
tert-butyl 3-oxo-4-phenylmethoxybutanoate
CID 12035485
tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate
CID 14182511
methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate
CID 67023671
tert-butyl (2S)-2-(benzylamino)-3-(4-hydroxyphenyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 140980460
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
tert-butyl 2-(4-phenylmethoxybutoxy)acetate
CID 176906340
1-bromo-3,3-dimethyl-4-phenylmethoxybutan-2-one
CID 134460062
benzyl (3R)-3-methyl-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4-oxobutanoate
CID 158977927
tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
CID 54470705
(2-methyl-1-phenylmethoxypropan-2-yl) carbonochloridate
CID 19779089

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate?
The IUPAC name of tert-butyl 2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate (CID 67345917) is tert-butyl 2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate.
What is the SMILES notation for tert-butyl 2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate?
The canonical SMILES for tert-butyl 2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate is CC(C)(C)OC(=O)CNC(C)(COCc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate?
The InChIKey is VGQBTTXFVQZQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO5/c1-19(2,3)26-17(23)13-22-21(7,18(24)27-20(4,5)6)15-25-14-16-11-9-8-10-12-16/h8-12,22H,13-15H2,1-7H3.
What are the key properties of tert-butyl 2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate?
tert-butyl 2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate has a molecular weight of 379.50 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate is sourced from PubChem (CID 67345917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).