(2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide

C13H26N2O2 — CID 112753369

IUPAC(2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NC1CCC(CO)CC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)11(14)12(17)15-10-6-4-9(8-16)5-7-10/h9-11,16H,4-8,14H2,1-3H3,(H,15,17)/t9?,10?,11-/m0/s1
InChIKeyAVEYEIBSFNMDDS-ILDUYXDCSA-N
MW242.36 g/mol
LogP1.03
Rot. Bonds3

About (2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide

(2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide (PubChem CID 112753369) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide
PubChem CID112753369
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NC1CCC(CO)CC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)11(14)12(17)15-10-6-4-9(8-16)5-7-10/h9-11,16H,4-8,14H2,1-3H3,(H,15,17)/t9?,10?,11-/m0/s1
InChIKeyAVEYEIBSFNMDDS-ILDUYXDCSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydroxymethyl)cyclohexyl]-3-methoxypropanamide
CID 75502841
(1S)-N-[4-(hydroxymethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 109618669
(2S)-1-tert-butyl-N-[4-(hydroxymethyl)cyclohexyl]azetidine-2-carboxamide
CID 164634482
4,4,4-trifluoro-N-[4-(hydroxymethyl)cyclohexyl]butanamide
CID 109618729
2-fluoro-N-[4-(hydroxymethyl)cyclohexyl]-2-methylpropanamide
CID 109928475
2-amino-N-[4-(hydroxymethyl)cyclohexyl]-2-methylpropanamide
CID 21652814
2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide
CID 43696106
(2R)-2-amino-3-hydroxy-N-[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]propanamide
CID 58369409
(2S)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide
CID 58369413
N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-2,2-dimethylpropanamide
CID 58369414
(2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide
CID 58369423
(2S)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]propanamide
CID 58369425

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide (CID 112753369) is (2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide is CC(C)(C)[C@@H](N)C(=O)NC1CCC(CO)CC1.
What is the InChIKey of (2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide?
The InChIKey is AVEYEIBSFNMDDS-ILDUYXDCSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)11(14)12(17)15-10-6-4-9(8-16)5-7-10/h9-11,16H,4-8,14H2,1-3H3,(H,15,17)/t9?,10?,11-/m0/s1.
What are the key properties of (2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide?
(2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 112753369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).