tert-butyl N-methyl-N-[2-oxo-2-[[3-(phenoxymethyl)phenyl]methylamino]ethyl]carbamate

C22H28N2O4 — CID 56522271

IUPACtert-butyl N-methyl-N-[2-oxo-2-[[3-(phenoxymethyl)phenyl]methylamino]ethyl]carbamate
SMILESCN(CC(=O)NCc1cccc(COc2ccccc2)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C22H28N2O4/c1-22(2,3)28-21(26)24(4)15-20(25)23-14-17-9-8-10-18(13-17)16-27-19-11-6-5-7-12-19/h5-13H,14-16H2,1-4H3,(H,23,25)
InChIKeyUETZPWWWDGJUEL-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.75
Rot. Bonds7

About tert-butyl N-methyl-N-[2-oxo-2-[[3-(phenoxymethyl)phenyl]methylamino]ethyl]carbamate

tert-butyl N-methyl-N-[2-oxo-2-[[3-(phenoxymethyl)phenyl]methylamino]ethyl]carbamate (PubChem CID 56522271) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-oxo-2-[[3-(phenoxymethyl)phenyl]methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-oxo-2-[[3-(phenoxymethyl)phenyl]methylamino]ethyl]carbamate
PubChem CID56522271
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Nametert-butyl N-methyl-N-[2-oxo-2-[[3-(phenoxymethyl)phenyl]methylamino]ethyl]carbamate
SMILESCN(CC(=O)NCc1cccc(COc2ccccc2)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C22H28N2O4/c1-22(2,3)28-21(26)24(4)15-20(25)23-14-17-9-8-10-18(13-17)16-27-19-11-6-5-7-12-19/h5-13H,14-16H2,1-4H3,(H,23,25)
InChIKeyUETZPWWWDGJUEL-UHFFFAOYSA-N
XLogP3.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-oxo-3-[(3-phenylmethoxyphenyl)methylamino]propyl]carbamate
CID 55846532
tert-butyl N-[(2R)-2-hydroxy-2-(3-phenylmethoxyphenyl)ethyl]-N-methylcarbamate
CID 121230643
2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55824699
benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 22623801
N-tert-butyl-2-[[N'-methyl-N-[[3-(phenoxymethyl)phenyl]methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111383537
tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate
CID 156818686
1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861427
tert-butyl N-[3-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-oxopropyl]carbamate
CID 38525612
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
N-[[3-(chloromethyl)phenyl]methyl]-3-phenoxypropanamide
CID 114302259
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]acetamide
CID 47064675
(2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94635448

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-oxo-2-[[3-(phenoxymethyl)phenyl]methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-oxo-2-[[3-(phenoxymethyl)phenyl]methylamino]ethyl]carbamate (CID 56522271) is tert-butyl N-methyl-N-[2-oxo-2-[[3-(phenoxymethyl)phenyl]methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-oxo-2-[[3-(phenoxymethyl)phenyl]methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-oxo-2-[[3-(phenoxymethyl)phenyl]methylamino]ethyl]carbamate is CN(CC(=O)NCc1cccc(COc2ccccc2)c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-oxo-2-[[3-(phenoxymethyl)phenyl]methylamino]ethyl]carbamate?
The InChIKey is UETZPWWWDGJUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-22(2,3)28-21(26)24(4)15-20(25)23-14-17-9-8-10-18(13-17)16-27-19-11-6-5-7-12-19/h5-13H,14-16H2,1-4H3,(H,23,25).
What are the key properties of tert-butyl N-methyl-N-[2-oxo-2-[[3-(phenoxymethyl)phenyl]methylamino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-oxo-2-[[3-(phenoxymethyl)phenyl]methylamino]ethyl]carbamate has a molecular weight of 384.48 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-oxo-2-[[3-(phenoxymethyl)phenyl]methylamino]ethyl]carbamate is sourced from PubChem (CID 56522271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).