tert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate

C22H28N2O4 — CID 123313324

IUPACtert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate
SMILESCN(C(=O)CNC(=O)OC(C)(C)C)C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C22H28N2O4/c1-22(2,3)28-21(27)23-15-18(25)24(4)19(16-11-7-5-8-12-16)20(26)17-13-9-6-10-14-17/h5-14,19-20,26H,15H2,1-4H3,(H,23,27)
InChIKeyMZQYZZQXUUSULA-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.44
Rot. Bonds6

About tert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate

tert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate (PubChem CID 123313324) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate
PubChem CID123313324
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Nametert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate
SMILESCN(C(=O)CNC(=O)OC(C)(C)C)C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C22H28N2O4/c1-22(2,3)28-21(27)23-15-18(25)24(4)19(16-11-7-5-8-12-16)20(26)17-13-9-6-10-14-17/h5-14,19-20,26H,15H2,1-4H3,(H,23,27)
InChIKeyMZQYZZQXUUSULA-UHFFFAOYSA-N
XLogP3.44
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[[2-(butylamino)-2-oxo-1-phenylethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015085
tert-butyl N-[2-[[2-(benzylamino)-1-(3,5-dimethylphenyl)-2-oxoethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015254
tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate
CID 69441199
tert-butyl N-[2-[[2-(benzylamino)-1-(4-ethylphenyl)-2-oxoethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015239
ethyl 3-[[2-[ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-2-phenylacetyl]amino]propanoate
CID 18015381
tert-butyl N-[2-[ethyl-[2-(2-methylanilino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate
CID 18015375
tert-butyl N-[2-[[1-(3,5-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015255
tert-butyl N-[2-[[2-(benzylamino)-2-oxo-1-phenylethyl]-propan-2-ylamino]-2-oxoethyl]carbamate
CID 18017369
tert-butyl N-[(1S)-1-(dimethylamino)-3-oxo-1-phenylpropan-2-yl]carbamate
CID 174369964
tert-butyl N-[2-[[2-(benzylamino)-2-oxo-1-phenylethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]carbamate
CID 18016799
tert-butyl N-[2-[butan-2-yl-[2-(butylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate
CID 18018790
tert-butyl N-[(3S)-3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-2-phenylbutyl]carbamate
CID 91135021

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate (CID 123313324) is tert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate is CN(C(=O)CNC(=O)OC(C)(C)C)C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate?
The InChIKey is MZQYZZQXUUSULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-22(2,3)28-21(27)23-15-18(25)24(4)19(16-11-7-5-8-12-16)20(26)17-13-9-6-10-14-17/h5-14,19-20,26H,15H2,1-4H3,(H,23,27).
What are the key properties of tert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate has a molecular weight of 384.48 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 123313324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).