N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide

C12H23NO2 — CID 106123043

IUPACN-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C12H23NO2/c1-3-9(2)12(15)13-8-10-4-6-11(14)7-5-10/h9-11,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyCGGHRHDJRYSLTI-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.70
Rot. Bonds4

About N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide

N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide (PubChem CID 106123043) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
PubChem CID106123043
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C12H23NO2/c1-3-9(2)12(15)13-8-10-4-6-11(14)7-5-10/h9-11,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyCGGHRHDJRYSLTI-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 106135488
N-[(4-chlorocyclohexyl)methyl]-2-methylbutanamide
CID 106133616
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide
CID 106121936
ethyl 2-amino-3-[(4-hydroxycyclohexyl)methylamino]-3-oxopropanoate
CID 106135415
N-[(3-hydroxycyclopentyl)methyl]-2-methoxypropanamide
CID 103279856
2-ethyl-N-[(3-hydroxycyclopentyl)methyl]butanamide
CID 103279737
N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894
2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide
CID 106135811
2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide
CID 106135774
4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 80543097
N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106123788
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide (CID 106123043) is N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide is CCC(C)C(=O)NCC1CCC(O)CC1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide?
The InChIKey is CGGHRHDJRYSLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-9(2)12(15)13-8-10-4-6-11(14)7-5-10/h9-11,14H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide?
N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide has a molecular weight of 213.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide is sourced from PubChem (CID 106123043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).