2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate

C19H35NO4 — CID 174476583

IUPAC2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate
SMILESCCC(=O)OCCC1CCC(CCN(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H35NO4/c1-6-17(21)23-14-12-16-9-7-15(8-10-16)11-13-20(5)18(22)24-19(2,3)4/h15-16H,6-14H2,1-5H3
InChIKeyPTKZCMDXQMCGAS-UHFFFAOYSA-N
MW341.49 g/mol
LogP4.39
Rot. Bonds7

About 2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate

2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate (PubChem CID 174476583) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is 2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate.

Molecular Properties

Compound Name2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate
PubChem CID174476583
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Name2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate
SMILESCCC(=O)OCCC1CCC(CCN(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H35NO4/c1-6-17(21)23-14-12-16-9-7-15(8-10-16)11-13-20(5)18(22)24-19(2,3)4/h15-16H,6-14H2,1-5H3
InChIKeyPTKZCMDXQMCGAS-UHFFFAOYSA-N
XLogP4.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate with MolForge

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Related Compounds

tert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate
CID 23395979
tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate
CID 53419825
tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate
CID 91223647
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate
CID 166698146
2-piperidin-4-ylethyl propanoate
CID 53408774
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
CID 107245079
tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187181
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylpropanoate
CID 137320757
butanoyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 166720638
tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate
CID 166938037
tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate
CID 176578445

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate?
The IUPAC name of 2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate (CID 174476583) is 2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate.
What is the SMILES notation for 2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate?
The canonical SMILES for 2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate is CCC(=O)OCCC1CCC(CCN(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate?
The InChIKey is PTKZCMDXQMCGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4/c1-6-17(21)23-14-12-16-9-7-15(8-10-16)11-13-20(5)18(22)24-19(2,3)4/h15-16H,6-14H2,1-5H3.
What are the key properties of 2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate?
2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate has a molecular weight of 341.49 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate is sourced from PubChem (CID 174476583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).