tert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate

C18H28N2O4 — CID 136584911

IUPACtert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate
SMILESCC(C)NC(=O)COc1ccccc1[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H28N2O4/c1-12(2)19-16(21)11-23-15-10-8-7-9-14(15)13(3)20-17(22)24-18(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,19,21)(H,20,22)/t13-/m0/s1
InChIKeyANKJHSSVXBZAOP-ZDUSSCGKSA-N
MW336.43 g/mol
LogP3.18
Rot. Bonds6

About tert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate

tert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate (PubChem CID 136584911) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate
PubChem CID136584911
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Nametert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate
SMILESCC(C)NC(=O)COc1ccccc1[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H28N2O4/c1-12(2)19-16(21)11-23-15-10-8-7-9-14(15)13(3)20-17(22)24-18(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,19,21)(H,20,22)/t13-/m0/s1
InChIKeyANKJHSSVXBZAOP-ZDUSSCGKSA-N
XLogP3.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
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2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide
CID 78931532
tert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate
CID 95336152
2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
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tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
tert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate
CID 107236715
tert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate
CID 136584914
2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489481
2-(2-ethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144695
2-(2-fluorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719194
2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 45154352

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate (CID 136584911) is tert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate is CC(C)NC(=O)COc1ccccc1[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate?
The InChIKey is ANKJHSSVXBZAOP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-12(2)19-16(21)11-23-15-10-8-7-9-14(15)13(3)20-17(22)24-18(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,19,21)(H,20,22)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate has a molecular weight of 336.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate is sourced from PubChem (CID 136584911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).