tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate

C17H32N2O3 — CID 86277406

IUPACtert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
SMILESCC(C)(C)CC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H32N2O3/c1-16(2,3)11-14(20)18-12-7-9-13(10-8-12)19-15(21)22-17(4,5)6/h12-13H,7-11H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyDAEMECXKQMKXCS-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.37
Rot. Bonds3

About tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate

tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate (PubChem CID 86277406) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
PubChem CID86277406
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
SMILESCC(C)(C)CC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H32N2O3/c1-16(2,3)11-14(20)18-12-7-9-13(10-8-12)19-15(21)22-17(4,5)6/h12-13H,7-11H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyDAEMECXKQMKXCS-UHFFFAOYSA-N
XLogP3.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
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tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
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tert-butyl N-[3-(3,3,3-trifluoropropanoylamino)cyclohexyl]carbamate
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N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate
CID 161291088
tert-butyl N-(4-aminooxycyclohexyl)carbamate
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tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate
CID 59470733
tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate
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N,N'-dicyclopropyl-3,3-dimethylpentanediamide
CID 59002749
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CID 159337962

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate (CID 86277406) is tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate is CC(C)(C)CC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate?
The InChIKey is DAEMECXKQMKXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-16(2,3)11-14(20)18-12-7-9-13(10-8-12)19-15(21)22-17(4,5)6/h12-13H,7-11H2,1-6H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate has a molecular weight of 312.45 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate is sourced from PubChem (CID 86277406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).