4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide

C15H29NO3 — CID 54993673

IUPAC4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide
SMILESCOCC(O)CN(C)C(=O)CCCC1CCCCC1
InChIInChI=1S/C15H29NO3/c1-16(11-14(17)12-19-2)15(18)10-6-9-13-7-4-3-5-8-13/h13-14,17H,3-12H2,1-2H3
InChIKeyGEKLIXIANITKBJ-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.20
Rot. Bonds8

About 4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide

4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide (PubChem CID 54993673) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide
PubChem CID54993673
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide
SMILESCOCC(O)CN(C)C(=O)CCCC1CCCCC1
InChIInChI=1S/C15H29NO3/c1-16(11-14(17)12-19-2)15(18)10-6-9-13-7-4-3-5-8-13/h13-14,17H,3-12H2,1-2H3
InChIKeyGEKLIXIANITKBJ-UHFFFAOYSA-N
XLogP2.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N-methyldecanamide
CID 54993682
N-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide
CID 103908940
4-cyclohexyl-N-methylbutanehydrazide
CID 116845177
N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
CID 111462618
4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide
CID 107202086
N-butan-2-yl-4-cyclohexyl-N-methylbutanamide
CID 112817760
4-cyclopentyl-N-methylbutanehydrazide
CID 116845176
4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
CID 115759935
N-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide
CID 80670667
4-cyclohexyl-N-(1-methoxypropan-2-yl)butanamide
CID 78785346
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(3-methylpiperidin-2-yl)acetamide
CID 107147698
5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid
CID 67699840

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide?
The IUPAC name of 4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide (CID 54993673) is 4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide.
What is the SMILES notation for 4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide?
The canonical SMILES for 4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide is COCC(O)CN(C)C(=O)CCCC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide?
The InChIKey is GEKLIXIANITKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-16(11-14(17)12-19-2)15(18)10-6-9-13-7-4-3-5-8-13/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide?
4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide has a molecular weight of 271.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide is sourced from PubChem (CID 54993673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).