N-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide

C13H25NO3 — CID 114094384

IUPACN-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide
SMILESCCC(C)(OC)C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C13H25NO3/c1-4-13(2,17-3)12(16)14-9-10-6-5-7-11(15)8-10/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyHJFMDGNRFVAQQN-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.47
Rot. Bonds5

About N-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide

N-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide (PubChem CID 114094384) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide
PubChem CID114094384
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide
SMILESCCC(C)(OC)C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C13H25NO3/c1-4-13(2,17-3)12(16)14-9-10-6-5-7-11(15)8-10/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyHJFMDGNRFVAQQN-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 106135166
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 106135108
N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide
CID 106123178
2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 114105255
2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 106128023
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106135154
2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide
CID 106127935
2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103950304
4-ethoxy-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103690736
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide
CID 106135074

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide (CID 114094384) is N-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide is CCC(C)(OC)C(=O)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide?
The InChIKey is HJFMDGNRFVAQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-13(2,17-3)12(16)14-9-10-6-5-7-11(15)8-10/h10-11,15H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide?
N-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide has a molecular weight of 243.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide is sourced from PubChem (CID 114094384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).