N-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide

C13H25NO3 — CID 113340476

IUPACN-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)NC1CCCCC1CO
InChIInChI=1S/C13H25NO3/c1-10(9-17-2)7-13(16)14-12-6-4-3-5-11(12)8-15/h10-12,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyLIRJBBZYFNKBPY-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.33
Rot. Bonds6

About N-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide

N-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide (PubChem CID 113340476) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide
PubChem CID113340476
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)NC1CCCCC1CO
InChIInChI=1S/C13H25NO3/c1-10(9-17-2)7-13(16)14-12-6-4-3-5-11(12)8-15/h10-12,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyLIRJBBZYFNKBPY-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide
CID 103798579
3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide
CID 106361550
methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate
CID 130640113
3-amino-N-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethylpentanamide
CID 114178708
2-methylpropyl N-[2-(hydroxymethyl)cyclopentyl]carbamate
CID 106364581
5-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 106361473
N-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide
CID 106366056
3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103525061
4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide
CID 103866535
4-[[2-(hydroxymethyl)cyclohexyl]amino]-4-oxobutanoic acid
CID 106359284
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
[2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol
CID 115722501

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide (CID 113340476) is N-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide is COCC(C)CC(=O)NC1CCCCC1CO.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide?
The InChIKey is LIRJBBZYFNKBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(9-17-2)7-13(16)14-12-6-4-3-5-11(12)8-15/h10-12,15H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide?
N-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide has a molecular weight of 243.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide is sourced from PubChem (CID 113340476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).