tert-butyl N-[2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate

C21H37NO4 — CID 14076773

IUPACtert-butyl N-[2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate
SMILESCC(C)CC1CC(C(CC2CCCCC2)NC(=O)OC(C)(C)C)OC1=O
InChIInChI=1S/C21H37NO4/c1-14(2)11-16-13-18(25-19(16)23)17(12-15-9-7-6-8-10-15)22-20(24)26-21(3,4)5/h14-18H,6-13H2,1-5H3,(H,22,24)
InChIKeyWWZSFAIZKXCSKS-UHFFFAOYSA-N
MW367.53 g/mol
LogP4.83
Rot. Bonds6

About tert-butyl N-[2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate

tert-butyl N-[2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate (PubChem CID 14076773) has the molecular formula C21H37NO4 and a molecular weight of 367.53 g/mol. Its IUPAC name is tert-butyl N-[2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate
PubChem CID14076773
Molecular FormulaC21H37NO4
Molecular Weight367.53 g/mol
Exact Mass367.27
IUPAC Nametert-butyl N-[2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate
SMILESCC(C)CC1CC(C(CC2CCCCC2)NC(=O)OC(C)(C)C)OC1=O
InChIInChI=1S/C21H37NO4/c1-14(2)11-16-13-18(25-19(16)23)17(12-15-9-7-6-8-10-15)22-20(24)26-21(3,4)5/h14-18H,6-13H2,1-5H3,(H,22,24)
InChIKeyWWZSFAIZKXCSKS-UHFFFAOYSA-N
XLogP4.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate with MolForge

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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 N-[(1S)-3-methyl-1-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]butyl]carbamate
CID 12042859
(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
tert-butyl N-[(1S)-3-methyl-1-[(2S,4R)-4-(2-methylprop-2-enyl)-5-oxooxolan-2-yl]butyl]carbamate
CID 11023822
tert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate
CID 14076769

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate (CID 14076773) is tert-butyl N-[2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate is CC(C)CC1CC(C(CC2CCCCC2)NC(=O)OC(C)(C)C)OC1=O.
What is the InChIKey of tert-butyl N-[2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate?
The InChIKey is WWZSFAIZKXCSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO4/c1-14(2)11-16-13-18(25-19(16)23)17(12-15-9-7-6-8-10-15)22-20(24)26-21(3,4)5/h14-18H,6-13H2,1-5H3,(H,22,24).
What are the key properties of tert-butyl N-[2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate?
tert-butyl N-[2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate has a molecular weight of 367.53 g/mol, XLogP of 4.83, 6 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-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate is sourced from PubChem (CID 14076773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).