tert-butyl N-(phenoxyamino)carbamate

C11H16N2O3 — CID 22887615

IUPACtert-butyl N-(phenoxyamino)carbamate
SMILESCC(C)(C)OC(=O)NNOc1ccccc1
InChIInChI=1S/C11H16N2O3/c1-11(2,3)15-10(14)12-13-16-9-7-5-4-6-8-9/h4-8,13H,1-3H3,(H,12,14)
InChIKeyRCJDRELEGUBRFD-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.01
Rot. Bonds3

About tert-butyl N-(phenoxyamino)carbamate

tert-butyl N-(phenoxyamino)carbamate (PubChem CID 22887615) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is tert-butyl N-(phenoxyamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(phenoxyamino)carbamate
PubChem CID22887615
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nametert-butyl N-(phenoxyamino)carbamate
SMILESCC(C)(C)OC(=O)NNOc1ccccc1
InChIInChI=1S/C11H16N2O3/c1-11(2,3)15-10(14)12-13-16-9-7-5-4-6-8-9/h4-8,13H,1-3H3,(H,12,14)
InChIKeyRCJDRELEGUBRFD-UHFFFAOYSA-N
XLogP2.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(1-phenylethenylamino)carbamate
CID 2692506
CID 10950859
CID 10950859
tert-butyl N-(1-phenylethenyl)carbamate
CID 24881759
tert-butyl N-(2-benzylhydrazinyl)carbamate
CID 69172873
tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate
CID 16735191
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenoxypropanoate
CID 118862902
tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate
CID 21186039
tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate
CID 167260960
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
2,2-dimethyl-N-phenoxypropanamide
CID 20584483
tert-butyl N-[(2-methylbenzoyl)amino]carbamate
CID 2218283
tert-butyl N-(3-phenylprop-2-enoyl)carbamate
CID 123902044

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(phenoxyamino)carbamate?
The IUPAC name of tert-butyl N-(phenoxyamino)carbamate (CID 22887615) is tert-butyl N-(phenoxyamino)carbamate.
What is the SMILES notation for tert-butyl N-(phenoxyamino)carbamate?
The canonical SMILES for tert-butyl N-(phenoxyamino)carbamate is CC(C)(C)OC(=O)NNOc1ccccc1.
What is the InChIKey of tert-butyl N-(phenoxyamino)carbamate?
The InChIKey is RCJDRELEGUBRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,3)15-10(14)12-13-16-9-7-5-4-6-8-9/h4-8,13H,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-(phenoxyamino)carbamate?
tert-butyl N-(phenoxyamino)carbamate has a molecular weight of 224.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(phenoxyamino)carbamate is sourced from PubChem (CID 22887615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).