tert-butyl N-[1-cyclobutyl-2-(2-ethyl-1,4-oxazepan-4-yl)-2-oxoethyl]carbamate

C18H32N2O4 — CID 154760750

IUPACtert-butyl N-[1-cyclobutyl-2-(2-ethyl-1,4-oxazepan-4-yl)-2-oxoethyl]carbamate
SMILESCCC1CN(C(=O)C(NC(=O)OC(C)(C)C)C2CCC2)CCCO1
InChIInChI=1S/C18H32N2O4/c1-5-14-12-20(10-7-11-23-14)16(21)15(13-8-6-9-13)19-17(22)24-18(2,3)4/h13-15H,5-12H2,1-4H3,(H,19,22)
InChIKeyNBQIULJXCUHAFD-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.71
Rot. Bonds4

About tert-butyl N-[1-cyclobutyl-2-(2-ethyl-1,4-oxazepan-4-yl)-2-oxoethyl]carbamate

tert-butyl N-[1-cyclobutyl-2-(2-ethyl-1,4-oxazepan-4-yl)-2-oxoethyl]carbamate (PubChem CID 154760750) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is tert-butyl N-[1-cyclobutyl-2-(2-ethyl-1,4-oxazepan-4-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclobutyl-2-(2-ethyl-1,4-oxazepan-4-yl)-2-oxoethyl]carbamate
PubChem CID154760750
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Nametert-butyl N-[1-cyclobutyl-2-(2-ethyl-1,4-oxazepan-4-yl)-2-oxoethyl]carbamate
SMILESCCC1CN(C(=O)C(NC(=O)OC(C)(C)C)C2CCC2)CCCO1
InChIInChI=1S/C18H32N2O4/c1-5-14-12-20(10-7-11-23-14)16(21)15(13-8-6-9-13)19-17(22)24-18(2,3)4/h13-15H,5-12H2,1-4H3,(H,19,22)
InChIKeyNBQIULJXCUHAFD-UHFFFAOYSA-N
XLogP2.71
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate
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(2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one
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tert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate
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(2S)-1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylic acid
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tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate
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2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1-methylpyrrolidin-3-yl)acetic acid
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tert-butyl N-[(1S)-1-cyclopentyl-2-fluoro-2-oxoethyl]carbamate
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2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)-4-methoxybutan-1-one
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tert-butyl N-[1-cyclobutyl-2-(2-methylhydrazinyl)-2-oxoethyl]carbamate
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methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
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(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4S)-oxepan-4-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclobutyl-2-(2-ethyl-1,4-oxazepan-4-yl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclobutyl-2-(2-ethyl-1,4-oxazepan-4-yl)-2-oxoethyl]carbamate (CID 154760750) is tert-butyl N-[1-cyclobutyl-2-(2-ethyl-1,4-oxazepan-4-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclobutyl-2-(2-ethyl-1,4-oxazepan-4-yl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclobutyl-2-(2-ethyl-1,4-oxazepan-4-yl)-2-oxoethyl]carbamate is CCC1CN(C(=O)C(NC(=O)OC(C)(C)C)C2CCC2)CCCO1.
What is the InChIKey of tert-butyl N-[1-cyclobutyl-2-(2-ethyl-1,4-oxazepan-4-yl)-2-oxoethyl]carbamate?
The InChIKey is NBQIULJXCUHAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-5-14-12-20(10-7-11-23-14)16(21)15(13-8-6-9-13)19-17(22)24-18(2,3)4/h13-15H,5-12H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[1-cyclobutyl-2-(2-ethyl-1,4-oxazepan-4-yl)-2-oxoethyl]carbamate?
tert-butyl N-[1-cyclobutyl-2-(2-ethyl-1,4-oxazepan-4-yl)-2-oxoethyl]carbamate has a molecular weight of 340.46 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclobutyl-2-(2-ethyl-1,4-oxazepan-4-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 154760750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).