N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide

C13H25NO3 — CID 111539886

IUPACN-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide
SMILESCOCCC(C)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H25NO3/c1-11(6-9-17-2)12(15)14-10-13(16)7-4-3-5-8-13/h11,16H,3-10H2,1-2H3,(H,14,15)
InChIKeyGNNYNNKYUOPADF-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.47
Rot. Bonds6

About N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide

N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide (PubChem CID 111539886) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide
PubChem CID111539886
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide
SMILESCOCCC(C)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H25NO3/c1-11(6-9-17-2)12(15)14-10-13(16)7-4-3-5-8-13/h11,16H,3-10H2,1-2H3,(H,14,15)
InChIKeyGNNYNNKYUOPADF-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65106819
N-[(1-hydroxycyclopentyl)methyl]-2-methyl-4-phenoxybutanamide
CID 111499089
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65123309
1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol
CID 64604658
N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide
CID 111539402
2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65109266
2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 65105224
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65106150
4-[(1-hydroxycyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498630
N-[(1-hydroxycyclohexyl)methyl]-4-methoxypentanamide
CID 113375216
2-ethoxy-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111331443

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide (CID 111539886) is N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide is COCCC(C)C(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide?
The InChIKey is GNNYNNKYUOPADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-11(6-9-17-2)12(15)14-10-13(16)7-4-3-5-8-13/h11,16H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide?
N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide has a molecular weight of 243.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide is sourced from PubChem (CID 111539886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).