N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide

C16H30N2O2 — CID 115309214

IUPACN-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NC(CN)C2CCCCC2)C1C
InChIInChI=1S/C16H30N2O2/c1-10-11(2)20-12(3)15(10)16(19)18-14(9-17)13-7-5-4-6-8-13/h10-15H,4-9,17H2,1-3H3,(H,18,19)
InChIKeySHCVKJCOXLVPKW-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.07
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 115309214) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID115309214
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NC(CN)C2CCCCC2)C1C
InChIInChI=1S/C16H30N2O2/c1-10-11(2)20-12(3)15(10)16(19)18-14(9-17)13-7-5-4-6-8-13/h10-15H,4-9,17H2,1-3H3,(H,18,19)
InChIKeySHCVKJCOXLVPKW-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide
CID 81485419
ethyl N-(2-amino-1-cyclooctylethyl)carbamate
CID 114207874
N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 119589875
N-(2-amino-1-cyclohexylethyl)-1-methylpiperidine-4-carboxamide
CID 119591982
N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152322
2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid
CID 119035659
N-(2-amino-1-cyclopentylethyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106737463
N-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide
CID 81486792
N-(2-amino-1-cyclopentylethyl)-2,2,2-trifluoroacetamide
CID 106737372
1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119588926
N-(2-amino-1-cyclopentylethyl)-3-methylbutanamide
CID 106737373
2-acetamido-N-(2-amino-1-cyclohexylethyl)acetamide;hydrochloride
CID 119590269

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 115309214) is N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NC(CN)C2CCCCC2)C1C.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is SHCVKJCOXLVPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-10-11(2)20-12(3)15(10)16(19)18-14(9-17)13-7-5-4-6-8-13/h10-15H,4-9,17H2,1-3H3,(H,18,19).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 115309214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).