tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate

C14H20N2O4 — CID 54547080

IUPACtert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)16-8-10-4-6-11(7-5-10)19-9-12(15)17/h4-7H,8-9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyXRIRQINKCWSEKK-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.58
Rot. Bonds5

About tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate

tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate (PubChem CID 54547080) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate
PubChem CID54547080
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nametert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)16-8-10-4-6-11(7-5-10)19-9-12(15)17/h4-7H,8-9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyXRIRQINKCWSEKK-UHFFFAOYSA-N
XLogP1.58
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate
CID 156874052
tert-butyl N-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]carbamate
CID 54483858
methyl 2-[4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]phenoxy]acetate
CID 91382246
tert-butyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
CID 63787638
2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
CID 61166013
2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide
CID 102609863
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate
CID 122714734
tert-butyl N-[[4-[(diaminoamino)methyl]phenyl]methyl]carbamate
CID 166772321
benzyl N-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]ethyl]carbamate
CID 156874082
tert-butyl N-[(3S)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-oxo-3-phenylpropyl]carbamate
CID 173249489
methyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenoxy]acetate
CID 59456133

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate (CID 54547080) is tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(OCC(N)=O)cc1.
What is the InChIKey of tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate?
The InChIKey is XRIRQINKCWSEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)16-8-10-4-6-11(7-5-10)19-9-12(15)17/h4-7H,8-9H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate?
tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate has a molecular weight of 280.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate is sourced from PubChem (CID 54547080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).