N-[(1-hydroxycyclohexyl)methyl]-4-methoxypentanamide

C13H25NO3 — CID 113375216

IUPACN-[(1-hydroxycyclohexyl)methyl]-4-methoxypentanamide
SMILESCOC(C)CCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H25NO3/c1-11(17-2)6-7-12(15)14-10-13(16)8-4-3-5-9-13/h11,16H,3-10H2,1-2H3,(H,14,15)
InChIKeyBWYVNALCSHLKHW-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.61
Rot. Bonds6

About N-[(1-hydroxycyclohexyl)methyl]-4-methoxypentanamide

N-[(1-hydroxycyclohexyl)methyl]-4-methoxypentanamide (PubChem CID 113375216) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-4-methoxypentanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-4-methoxypentanamide
PubChem CID113375216
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-4-methoxypentanamide
SMILESCOC(C)CCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H25NO3/c1-11(17-2)6-7-12(15)14-10-13(16)8-4-3-5-9-13/h11,16H,3-10H2,1-2H3,(H,14,15)
InChIKeyBWYVNALCSHLKHW-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxypentanamide
CID 113382189
N-[(1-hydroxycyclohexyl)methyl]-3-propoxypropanamide
CID 65114001
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide
CID 111539886
N-[(1-hydroxycyclopentyl)methyl]-3-methylpentanamide
CID 114875416
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 111428672
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
2-amino-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65122282
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 130634547
N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79209328
N'-[(1-hydroxycycloheptyl)methyl]-N-prop-2-ynylpropanediamide
CID 110017495
4-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 109379715

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-4-methoxypentanamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-4-methoxypentanamide (CID 113375216) is N-[(1-hydroxycyclohexyl)methyl]-4-methoxypentanamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-4-methoxypentanamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-4-methoxypentanamide is COC(C)CCC(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-4-methoxypentanamide?
The InChIKey is BWYVNALCSHLKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-11(17-2)6-7-12(15)14-10-13(16)8-4-3-5-9-13/h11,16H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-4-methoxypentanamide?
N-[(1-hydroxycyclohexyl)methyl]-4-methoxypentanamide has a molecular weight of 243.35 g/mol, XLogP of 1.61, 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-methoxypentanamide is sourced from PubChem (CID 113375216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).