3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide

C14H28N2O2 — CID 55066159

IUPAC3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide
SMILESCCCNC(C)(COCC1CCCCC1)C(N)=O
InChIInChI=1S/C14H28N2O2/c1-3-9-16-14(2,13(15)17)11-18-10-12-7-5-4-6-8-12/h12,16H,3-11H2,1-2H3,(H2,15,17)
InChIKeyMCKZFDYDMYEECI-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.83
Rot. Bonds8

About 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide

3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide (PubChem CID 55066159) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide
PubChem CID55066159
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide
SMILESCCCNC(C)(COCC1CCCCC1)C(N)=O
InChIInChI=1S/C14H28N2O2/c1-3-9-16-14(2,13(15)17)11-18-10-12-7-5-4-6-8-12/h12,16H,3-11H2,1-2H3,(H2,15,17)
InChIKeyMCKZFDYDMYEECI-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide?
The IUPAC name of 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide (CID 55066159) is 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide.
What is the SMILES notation for 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide?
The canonical SMILES for 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide is CCCNC(C)(COCC1CCCCC1)C(N)=O.
What is the InChIKey of 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide?
The InChIKey is MCKZFDYDMYEECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-9-16-14(2,13(15)17)11-18-10-12-7-5-4-6-8-12/h12,16H,3-11H2,1-2H3,(H2,15,17).
What are the key properties of 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide?
3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide is sourced from PubChem (CID 55066159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).