tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate

C18H36N2O3 — CID 103782984

IUPACtert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate
SMILESCCC(COC)NC(CNC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C18H36N2O3/c1-6-15(13-22-5)20-16(14-10-8-7-9-11-14)12-19-17(21)23-18(2,3)4/h14-16,20H,6-13H2,1-5H3,(H,19,21)
InChIKeyZAYLLLXTZAMQTH-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.47
Rot. Bonds8

About tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate

tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate (PubChem CID 103782984) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate
PubChem CID103782984
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Nametert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate
SMILESCCC(COC)NC(CNC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C18H36N2O3/c1-6-15(13-22-5)20-16(14-10-8-7-9-11-14)12-19-17(21)23-18(2,3)4/h14-16,20H,6-13H2,1-5H3,(H,19,21)
InChIKeyZAYLLLXTZAMQTH-UHFFFAOYSA-N
XLogP3.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
CID 107252504
tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate
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tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate
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tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate
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tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate
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tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
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tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 104578296
tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate
CID 107250925
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)butyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate (CID 103782984) is tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate is CCC(COC)NC(CNC(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate?
The InChIKey is ZAYLLLXTZAMQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-6-15(13-22-5)20-16(14-10-8-7-9-11-14)12-19-17(21)23-18(2,3)4/h14-16,20H,6-13H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate?
tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate has a molecular weight of 328.50 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 103782984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).