tert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate

C23H36N2O5 — CID 145469318

IUPACtert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1cccc(COCC(N)C2CC(C(C)C)C(=O)O2)c1
InChIInChI=1S/C23H36N2O5/c1-14(2)18-11-20(29-21(18)26)19(24)13-28-12-16-8-7-9-17(10-16)15(3)25-22(27)30-23(4,5)6/h7-10,14-15,18-20H,11-13,24H2,1-6H3,(H,25,27)
InChIKeyFQTAZGIJVNFSBG-UHFFFAOYSA-N
MW420.55 g/mol
LogP3.70
Rot. Bonds8

About tert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate

tert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate (PubChem CID 145469318) has the molecular formula C23H36N2O5 and a molecular weight of 420.55 g/mol. Its IUPAC name is tert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate
PubChem CID145469318
Molecular FormulaC23H36N2O5
Molecular Weight420.55 g/mol
Exact Mass420.26
IUPAC Nametert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1cccc(COCC(N)C2CC(C(C)C)C(=O)O2)c1
InChIInChI=1S/C23H36N2O5/c1-14(2)18-11-20(29-21(18)26)19(24)13-28-12-16-8-7-9-17(10-16)15(3)25-22(27)30-23(4,5)6/h7-10,14-15,18-20H,11-13,24H2,1-6H3,(H,25,27)
InChIKeyFQTAZGIJVNFSBG-UHFFFAOYSA-N
XLogP3.70
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[3-[[2-azido-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate
CID 173487975
(3S)-5-(1-amino-2-phenylmethoxyethyl)-3-propan-2-yloxolan-2-one
CID 145469363
tert-butyl N-methyl-N-[1-(5-oxo-4-propan-2-yloxolan-2-yl)-2-phenylmethoxyethyl]carbamate
CID 69199249
benzyl N-[(2S)-1-[3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propan-2-yl]carbamate
CID 58748895
tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
CID 56955758
tert-butyl N-[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]-3-phenylmethoxypropan-2-yl]carbamate
CID 124545804
tert-butyl N-[(1S,3S)-3-(hydroxymethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate
CID 22874089
tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
CID 63787966
tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate
CID 71077122
tert-butyl N-[1-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]ethyl]carbamate
CID 168604841
tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215
tert-butyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate
CID 10246340

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate (CID 145469318) is tert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate is CC(NC(=O)OC(C)(C)C)c1cccc(COCC(N)C2CC(C(C)C)C(=O)O2)c1.
What is the InChIKey of tert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate?
The InChIKey is FQTAZGIJVNFSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O5/c1-14(2)18-11-20(29-21(18)26)19(24)13-28-12-16-8-7-9-17(10-16)15(3)25-22(27)30-23(4,5)6/h7-10,14-15,18-20H,11-13,24H2,1-6H3,(H,25,27).
What are the key properties of tert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate?
tert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate has a molecular weight of 420.55 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate is sourced from PubChem (CID 145469318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).