tert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate

C17H29NO4 — CID 14076769

IUPACtert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCCC1)C1CCC(=O)O1
InChIInChI=1S/C17H29NO4/c1-17(2,3)22-16(20)18-13(14-9-10-15(19)21-14)11-12-7-5-4-6-8-12/h12-14H,4-11H2,1-3H3,(H,18,20)
InChIKeyUXCILZJYSIVHNB-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.56
Rot. Bonds4

About tert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate

tert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate (PubChem CID 14076769) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is tert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate
PubChem CID14076769
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Nametert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCCC1)C1CCC(=O)O1
InChIInChI=1S/C17H29NO4/c1-17(2,3)22-16(20)18-13(14-9-10-15(19)21-14)11-12-7-5-4-6-8-12/h12-14H,4-11H2,1-3H3,(H,18,20)
InChIKeyUXCILZJYSIVHNB-UHFFFAOYSA-N
XLogP3.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S)-3-methyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]butyl]carbamate
CID 10989767
tert-butyl N-[(1S)-3-methyl-1-[(2S)-5-oxooxolan-2-yl]butyl]carbamate
CID 11054783
tert-butyl N-[(1S)-3-methyl-1-[(2R)-5-oxooxolan-2-yl]butyl]carbamate
CID 14076787
(2s,4s,5s)-5-(t-Butoxycarbonylamino)-4-hydroxy-2-isopropyl-7-methyloctanoic acid
CID 14083148
tert-butyl N-[(1S)-1-[(2S,4R)-4-(fluoromethyl)-5-oxooxolan-2-yl]-3-methylbutyl]carbamate
CID 60097003
1-tert-Butyl 6-ethyl (2S)-2-[(tert-butoxycarbonyl)amino]-5-(3-fluoropropyl)hexanedioate
CID 86678429
6-O-tert-butyl 1-O-ethyl 2-(3-fluoropropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate
CID 175274626
tert-butyl (2S,3R,5R)-3,5-diethyl-2-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
CID 134969659
tert-butyl N-[(1S)-3-methyl-1-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]butyl]carbamate
CID 12042859
ethyl (2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10590284
(5S)-5-[(1S)-1-(N-t-butoxycarbonylamino)-2-cyclohexylethyl]dihydrofuran-2(3H)-one
CID 10946873
(3R, 5S)-5-[(1S)-1-(t-Butoxycarbonyl)amino-2-cyclohexylethyl]-3-methyldihydrofuran-2(3H)-one
CID 11023821

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate (CID 14076769) is tert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate is CC(C)(C)OC(=O)NC(CC1CCCCC1)C1CCC(=O)O1.
What is the InChIKey of tert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate?
The InChIKey is UXCILZJYSIVHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-17(2,3)22-16(20)18-13(14-9-10-15(19)21-14)11-12-7-5-4-6-8-12/h12-14H,4-11H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate?
tert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate has a molecular weight of 311.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate is sourced from PubChem (CID 14076769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).