tert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]carbamate

C19H30N2O3 — CID 125497734

IUPACtert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]carbamate
SMILESCC(C)Oc1ccc([C@@H](CN2CCC2)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H30N2O3/c1-14(2)23-16-9-7-15(8-10-16)17(13-21-11-6-12-21)20-18(22)24-19(3,4)5/h7-10,14,17H,6,11-13H2,1-5H3,(H,20,22)/t17-/m1/s1
InChIKeyHRGRFSSJMASCPJ-QGZVFWFLSA-N
MW334.46 g/mol
LogP3.75
Rot. Bonds6

About tert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]carbamate

tert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]carbamate (PubChem CID 125497734) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]carbamate
PubChem CID125497734
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]carbamate
SMILESCC(C)Oc1ccc([C@@H](CN2CCC2)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H30N2O3/c1-14(2)23-16-9-7-15(8-10-16)17(13-21-11-6-12-21)20-18(22)24-19(3,4)5/h7-10,14,17H,6,11-13H2,1-5H3,(H,20,22)/t17-/m1/s1
InChIKeyHRGRFSSJMASCPJ-QGZVFWFLSA-N
XLogP3.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[1-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
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(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-propan-2-yloxyphenyl)acetic acid
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tert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(2,4-difluorophenyl)ethyl]carbamate
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[(2S,3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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tert-butyl N-[2,3-dihydroxy-3-(4-propan-2-yloxyphenyl)propyl]carbamate
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tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate
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tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate
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tert-butyl N-[1-oxo-1-(4-propan-2-yloxyanilino)propan-2-yl]carbamate
CID 71505185
tert-butyl N-[1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]piperidin-4-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]carbamate (CID 125497734) is tert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]carbamate is CC(C)Oc1ccc([C@@H](CN2CCC2)NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]carbamate?
The InChIKey is HRGRFSSJMASCPJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(2)23-16-9-7-15(8-10-16)17(13-21-11-6-12-21)20-18(22)24-19(3,4)5/h7-10,14,17H,6,11-13H2,1-5H3,(H,20,22)/t17-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]carbamate?
tert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]carbamate has a molecular weight of 334.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]carbamate is sourced from PubChem (CID 125497734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).