4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide

C15H30N2O2 — CID 102629015

IUPAC4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C15H30N2O2/c1-9(2)13(8-18)17-14(19)11-6-7-12(16)10(3)15(11,4)5/h9-13,18H,6-8,16H2,1-5H3,(H,17,19)/t10?,11?,12?,13-/m1/s1
InChIKeyVCYKBOZONVGVCF-NODFVKRRSA-N
MW270.42 g/mol
LogP1.52
Rot. Bonds4

About 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102629015) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102629015
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C15H30N2O2/c1-9(2)13(8-18)17-14(19)11-6-7-12(16)10(3)15(11,4)5/h9-13,18H,6-8,16H2,1-5H3,(H,17,19)/t10?,11?,12?,13-/m1/s1
InChIKeyVCYKBOZONVGVCF-NODFVKRRSA-N
XLogP1.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide with MolForge

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Related Compounds

4-amino-2,2,3-trimethyl-N-pent-4-en-2-ylcyclohexane-1-carboxamide
CID 102629227
2-[[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]methyl]-3-methylbutanoic acid
CID 102628950
4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629235
4-amino-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628940
4-amino-2,2,3-trimethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
CID 102628384
4-amino-N-(3-hydroxy-2,2-dimethylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629114
4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide
CID 102629260
4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide
CID 102628769
4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628945
N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180427
4-amino-N-(3-cyanopropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628781

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102629015) is 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide is CC(C)[C@@H](CO)NC(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is VCYKBOZONVGVCF-NODFVKRRSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-9(2)13(8-18)17-14(19)11-6-7-12(16)10(3)15(11,4)5/h9-13,18H,6-8,16H2,1-5H3,(H,17,19)/t10?,11?,12?,13-/m1/s1.
What are the key properties of 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102629015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).