tert-butyl 2-[nonyl(phenylmethoxy)amino]acetate

C22H37NO3 — CID 53238160

IUPACtert-butyl 2-[nonyl(phenylmethoxy)amino]acetate
SMILESCCCCCCCCCN(CC(=O)OC(C)(C)C)OCc1ccccc1
InChIInChI=1S/C22H37NO3/c1-5-6-7-8-9-10-14-17-23(18-21(24)26-22(2,3)4)25-19-20-15-12-11-13-16-20/h11-13,15-16H,5-10,14,17-19H2,1-4H3
InChIKeyZZJIWVODJHUGRA-UHFFFAOYSA-N
MW363.54 g/mol
LogP5.51
Rot. Bonds13

About tert-butyl 2-[nonyl(phenylmethoxy)amino]acetate

tert-butyl 2-[nonyl(phenylmethoxy)amino]acetate (PubChem CID 53238160) has the molecular formula C22H37NO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is tert-butyl 2-[nonyl(phenylmethoxy)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[nonyl(phenylmethoxy)amino]acetate
PubChem CID53238160
Molecular FormulaC22H37NO3
Molecular Weight363.54 g/mol
Exact Mass363.28
IUPAC Nametert-butyl 2-[nonyl(phenylmethoxy)amino]acetate
SMILESCCCCCCCCCN(CC(=O)OC(C)(C)C)OCc1ccccc1
InChIInChI=1S/C22H37NO3/c1-5-6-7-8-9-10-14-17-23(18-21(24)26-22(2,3)4)25-19-20-15-12-11-13-16-20/h11-13,15-16H,5-10,14,17-19H2,1-4H3
InChIKeyZZJIWVODJHUGRA-UHFFFAOYSA-N
XLogP5.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.54
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-oxo-2-[[phenylmethoxy-[4-(phenylmethoxyamino)butyl]amino]methyl]prop-2-enoate
CID 86744597
1,1-dimethyl-3-octyl-3-phenylmethoxyurea
CID 14227207
2-[nonyl(phenylmethoxy)amino]-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 53238391
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
tert-butyl 2-[propyl(undecyl)amino]acetate
CID 146733581
benzyl 4-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 135337820
trimethyl-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]octanoyl-phenylmethoxyamino]propyl]azanium
CID 52947307
tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[1-(phenylmethoxycarbonylamino)propan-2-yl]amino]acetate
CID 23510759
N-pentyl-N-phenylmethoxyformamide
CID 88956477
tert-butyl (3R)-3-[pentadecyl(phenylmethoxycarbonyl)amino]pyrrolidine-1-carboxylate
CID 167356492
tert-butyl (2S)-2-[2-[benzyl(phenylmethoxy)amino]-2-oxoethyl]heptanoate
CID 10048856

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[nonyl(phenylmethoxy)amino]acetate?
The IUPAC name of tert-butyl 2-[nonyl(phenylmethoxy)amino]acetate (CID 53238160) is tert-butyl 2-[nonyl(phenylmethoxy)amino]acetate.
What is the SMILES notation for tert-butyl 2-[nonyl(phenylmethoxy)amino]acetate?
The canonical SMILES for tert-butyl 2-[nonyl(phenylmethoxy)amino]acetate is CCCCCCCCCN(CC(=O)OC(C)(C)C)OCc1ccccc1.
What is the InChIKey of tert-butyl 2-[nonyl(phenylmethoxy)amino]acetate?
The InChIKey is ZZJIWVODJHUGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO3/c1-5-6-7-8-9-10-14-17-23(18-21(24)26-22(2,3)4)25-19-20-15-12-11-13-16-20/h11-13,15-16H,5-10,14,17-19H2,1-4H3.
What are the key properties of tert-butyl 2-[nonyl(phenylmethoxy)amino]acetate?
tert-butyl 2-[nonyl(phenylmethoxy)amino]acetate has a molecular weight of 363.54 g/mol, XLogP of 5.51, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[nonyl(phenylmethoxy)amino]acetate is sourced from PubChem (CID 53238160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).