tert-butyl N-methyl-N-[2-oxo-1-phenyl-2-(2-propan-2-ylsulfanylethylamino)ethyl]carbamate

C19H30N2O3S — CID 156878102

IUPACtert-butyl N-methyl-N-[2-oxo-1-phenyl-2-(2-propan-2-ylsulfanylethylamino)ethyl]carbamate
SMILESCC(C)SCCNC(=O)C(c1ccccc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O3S/c1-14(2)25-13-12-20-17(22)16(15-10-8-7-9-11-15)21(6)18(23)24-19(3,4)5/h7-11,14,16H,12-13H2,1-6H3,(H,20,22)
InChIKeyVKTURQQEXAHSAS-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.85
Rot. Bonds7

About tert-butyl N-methyl-N-[2-oxo-1-phenyl-2-(2-propan-2-ylsulfanylethylamino)ethyl]carbamate

tert-butyl N-methyl-N-[2-oxo-1-phenyl-2-(2-propan-2-ylsulfanylethylamino)ethyl]carbamate (PubChem CID 156878102) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-oxo-1-phenyl-2-(2-propan-2-ylsulfanylethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-oxo-1-phenyl-2-(2-propan-2-ylsulfanylethylamino)ethyl]carbamate
PubChem CID156878102
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Nametert-butyl N-methyl-N-[2-oxo-1-phenyl-2-(2-propan-2-ylsulfanylethylamino)ethyl]carbamate
SMILESCC(C)SCCNC(=O)C(c1ccccc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O3S/c1-14(2)25-13-12-20-17(22)16(15-10-8-7-9-11-15)21(6)18(23)24-19(3,4)5/h7-11,14,16H,12-13H2,1-6H3,(H,20,22)
InChIKeyVKTURQQEXAHSAS-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-methyl-N-[(2S)-1-oxo-3-phenyl-1-(2-propylsulfanylethylamino)propan-2-yl]carbamate
CID 54376676
2-[[2-(4-methoxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]propanoic acid
CID 156534933
(2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]propanoic acid
CID 156534930
tert-butyl N-[3-hydroxy-1-[methyl-[2-oxo-2-(pentylamino)-1-phenylethyl]amino]-1-oxopropan-2-yl]carbamate
CID 18032187
tert-butyl N-[1-[[2-(butylamino)-2-oxo-1-phenylethyl]-methylamino]-1-oxo-3-sulfanylpropan-2-yl]carbamate
CID 18054985
tert-butyl N-[2-[[2-(benzylamino)-1-(4-ethylphenyl)-2-oxoethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015239
tert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate
CID 110627490
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245596
tert-butyl N-[2-[[2-(benzylamino)-1-(3,5-dimethylphenyl)-2-oxoethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015254
tert-butyl N-[2-[butan-2-yl-[2-(butylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate
CID 18018790
tert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate
CID 123313324

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-oxo-1-phenyl-2-(2-propan-2-ylsulfanylethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-oxo-1-phenyl-2-(2-propan-2-ylsulfanylethylamino)ethyl]carbamate (CID 156878102) is tert-butyl N-methyl-N-[2-oxo-1-phenyl-2-(2-propan-2-ylsulfanylethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-oxo-1-phenyl-2-(2-propan-2-ylsulfanylethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-oxo-1-phenyl-2-(2-propan-2-ylsulfanylethylamino)ethyl]carbamate is CC(C)SCCNC(=O)C(c1ccccc1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-oxo-1-phenyl-2-(2-propan-2-ylsulfanylethylamino)ethyl]carbamate?
The InChIKey is VKTURQQEXAHSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-14(2)25-13-12-20-17(22)16(15-10-8-7-9-11-15)21(6)18(23)24-19(3,4)5/h7-11,14,16H,12-13H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-methyl-N-[2-oxo-1-phenyl-2-(2-propan-2-ylsulfanylethylamino)ethyl]carbamate?
tert-butyl N-methyl-N-[2-oxo-1-phenyl-2-(2-propan-2-ylsulfanylethylamino)ethyl]carbamate has a molecular weight of 366.53 g/mol, XLogP of 3.85, 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-1-phenyl-2-(2-propan-2-ylsulfanylethylamino)ethyl]carbamate is sourced from PubChem (CID 156878102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).