4-amino-2,2,3-trimethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide

C16H30N2O2 — CID 102628384

IUPAC4-amino-2,2,3-trimethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(N)C(C)C1(C)C)C1CCCO1
InChIInChI=1S/C16H30N2O2/c1-10-13(17)8-7-12(16(10,3)4)15(19)18-11(2)14-6-5-9-20-14/h10-14H,5-9,17H2,1-4H3,(H,18,19)
InChIKeyPEPJGHPJZDNDOW-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.07
Rot. Bonds3

About 4-amino-2,2,3-trimethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide

4-amino-2,2,3-trimethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 102628384) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-amino-2,2,3-trimethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2,2,3-trimethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID102628384
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name4-amino-2,2,3-trimethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(N)C(C)C1(C)C)C1CCCO1
InChIInChI=1S/C16H30N2O2/c1-10-13(17)8-7-12(16(10,3)4)15(19)18-11(2)14-6-5-9-20-14/h10-14H,5-9,17H2,1-4H3,(H,18,19)
InChIKeyPEPJGHPJZDNDOW-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629235
(2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide
CID 120623026
9-amino-N-[1-(oxolan-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985199
4-amino-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide
CID 102628769
ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate
CID 60895927
2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 79389054
N-[1-(oxolan-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119292164
N-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide
CID 64563784
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 102628934
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide
CID 7346762

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,3-trimethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2,2,3-trimethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide (CID 102628384) is 4-amino-2,2,3-trimethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2,2,3-trimethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2,2,3-trimethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide is CC(NC(=O)C1CCC(N)C(C)C1(C)C)C1CCCO1.
What is the InChIKey of 4-amino-2,2,3-trimethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is PEPJGHPJZDNDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-10-13(17)8-7-12(16(10,3)4)15(19)18-11(2)14-6-5-9-20-14/h10-14H,5-9,17H2,1-4H3,(H,18,19).
What are the key properties of 4-amino-2,2,3-trimethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide?
4-amino-2,2,3-trimethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,3-trimethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 102628384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).