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Tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate

C16H32N2O3 — CID 79114552

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate
SMILESCCOCC(C)NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O3/c1-6-20-11-12(2)17-13-7-9-14(10-8-13)18-15(19)21-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyMMVZJUPCYSIHPS-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.84
Rot. Bonds6

About Tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate

Tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate (PubChem CID 79114552) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate.

Molecular Properties

Compound NameTert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate
PubChem CID79114552
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate
SMILESCCOCC(C)NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O3/c1-6-20-11-12(2)17-13-7-9-14(10-8-13)18-15(19)21-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyMMVZJUPCYSIHPS-UHFFFAOYSA-N
XLogP2.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate?
The IUPAC name of Tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate (CID 79114552) is tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate.
What is the SMILES notation for Tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate?
The canonical SMILES for Tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate is CCOCC(C)NC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of Tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate?
The InChIKey is MMVZJUPCYSIHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-6-20-11-12(2)17-13-7-9-14(10-8-13)18-15(19)21-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19).
What are the key properties of Tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate?
Tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl N-[4-(1-ethoxypropan-2-ylamino)cyclohexyl]carbamate is sourced from PubChem (CID 79114552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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