3-[(4-hydroxycyclohexyl)methoxy]-N-methyl-2-(2-methylpropanoylamino)butanamide

C16H30N2O4 — CID 164604964

IUPAC3-[(4-hydroxycyclohexyl)methoxy]-N-methyl-2-(2-methylpropanoylamino)butanamide
SMILESCNC(=O)C(NC(=O)C(C)C)C(C)OCC1CCC(O)CC1
InChIInChI=1S/C16H30N2O4/c1-10(2)15(20)18-14(16(21)17-4)11(3)22-9-12-5-7-13(19)8-6-12/h10-14,19H,5-9H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyKQJPWOXKSQZWJQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP0.83
Rot. Bonds7

About 3-[(4-hydroxycyclohexyl)methoxy]-N-methyl-2-(2-methylpropanoylamino)butanamide

3-[(4-hydroxycyclohexyl)methoxy]-N-methyl-2-(2-methylpropanoylamino)butanamide (PubChem CID 164604964) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[(4-hydroxycyclohexyl)methoxy]-N-methyl-2-(2-methylpropanoylamino)butanamide.

Molecular Properties

Compound Name3-[(4-hydroxycyclohexyl)methoxy]-N-methyl-2-(2-methylpropanoylamino)butanamide
PubChem CID164604964
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name3-[(4-hydroxycyclohexyl)methoxy]-N-methyl-2-(2-methylpropanoylamino)butanamide
SMILESCNC(=O)C(NC(=O)C(C)C)C(C)OCC1CCC(O)CC1
InChIInChI=1S/C16H30N2O4/c1-10(2)15(20)18-14(16(21)17-4)11(3)22-9-12-5-7-13(19)8-6-12/h10-14,19H,5-9H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyKQJPWOXKSQZWJQ-UHFFFAOYSA-N
XLogP0.83
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxycyclohexyl)methoxy]-N-methyl-2-(2-methylpropanoylamino)butanamide?
The IUPAC name of 3-[(4-hydroxycyclohexyl)methoxy]-N-methyl-2-(2-methylpropanoylamino)butanamide (CID 164604964) is 3-[(4-hydroxycyclohexyl)methoxy]-N-methyl-2-(2-methylpropanoylamino)butanamide.
What is the SMILES notation for 3-[(4-hydroxycyclohexyl)methoxy]-N-methyl-2-(2-methylpropanoylamino)butanamide?
The canonical SMILES for 3-[(4-hydroxycyclohexyl)methoxy]-N-methyl-2-(2-methylpropanoylamino)butanamide is CNC(=O)C(NC(=O)C(C)C)C(C)OCC1CCC(O)CC1.
What is the InChIKey of 3-[(4-hydroxycyclohexyl)methoxy]-N-methyl-2-(2-methylpropanoylamino)butanamide?
The InChIKey is KQJPWOXKSQZWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-10(2)15(20)18-14(16(21)17-4)11(3)22-9-12-5-7-13(19)8-6-12/h10-14,19H,5-9H2,1-4H3,(H,17,21)(H,18,20).
What are the key properties of 3-[(4-hydroxycyclohexyl)methoxy]-N-methyl-2-(2-methylpropanoylamino)butanamide?
3-[(4-hydroxycyclohexyl)methoxy]-N-methyl-2-(2-methylpropanoylamino)butanamide has a molecular weight of 314.43 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxycyclohexyl)methoxy]-N-methyl-2-(2-methylpropanoylamino)butanamide is sourced from PubChem (CID 164604964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).