tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-1-(oxan-4-yl)-2-oxoethyl]carbamate

C19H30N2O4S — CID 119038076

IUPACtert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-1-(oxan-4-yl)-2-oxoethyl]carbamate
SMILESCCc1ccc(CNC(=O)C(NC(=O)OC(C)(C)C)C2CCOCC2)s1
InChIInChI=1S/C19H30N2O4S/c1-5-14-6-7-15(26-14)12-20-17(22)16(13-8-10-24-11-9-13)21-18(23)25-19(2,3)4/h6-7,13,16H,5,8-12H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyFZVLMVBUHFDJSQ-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.25
Rot. Bonds6

About tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-1-(oxan-4-yl)-2-oxoethyl]carbamate

tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-1-(oxan-4-yl)-2-oxoethyl]carbamate (PubChem CID 119038076) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-1-(oxan-4-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-1-(oxan-4-yl)-2-oxoethyl]carbamate
PubChem CID119038076
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Nametert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-1-(oxan-4-yl)-2-oxoethyl]carbamate
SMILESCCc1ccc(CNC(=O)C(NC(=O)OC(C)(C)C)C2CCOCC2)s1
InChIInChI=1S/C19H30N2O4S/c1-5-14-6-7-15(26-14)12-20-17(22)16(13-8-10-24-11-9-13)21-18(23)25-19(2,3)4/h6-7,13,16H,5,8-12H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyFZVLMVBUHFDJSQ-UHFFFAOYSA-N
XLogP3.25
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(5-ethyl-2-hydroxyanilino)-1-(oxan-4-yl)-2-oxoethyl]carbamate
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CID 100747329
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetate
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(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4S)-oxepan-4-yl]acetic acid
CID 129322931
tert-butyl N-[2-[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111884975
tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate
CID 107252627
tert-butyl N-[2-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypropyl]carbamate
CID 106508909
tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate
CID 130156540
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoic acid
CID 34178705
2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786149
tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
CID 59708483
tert-butyl N-[3-[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111887048

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-1-(oxan-4-yl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-1-(oxan-4-yl)-2-oxoethyl]carbamate (CID 119038076) is tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-1-(oxan-4-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-1-(oxan-4-yl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-1-(oxan-4-yl)-2-oxoethyl]carbamate is CCc1ccc(CNC(=O)C(NC(=O)OC(C)(C)C)C2CCOCC2)s1.
What is the InChIKey of tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-1-(oxan-4-yl)-2-oxoethyl]carbamate?
The InChIKey is FZVLMVBUHFDJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-5-14-6-7-15(26-14)12-20-17(22)16(13-8-10-24-11-9-13)21-18(23)25-19(2,3)4/h6-7,13,16H,5,8-12H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-1-(oxan-4-yl)-2-oxoethyl]carbamate?
tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-1-(oxan-4-yl)-2-oxoethyl]carbamate has a molecular weight of 382.53 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-1-(oxan-4-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 119038076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).