4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide

C14H28N2O2 — CID 63041133

IUPAC4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide
SMILESCCCNC(CCOC1CCCC(C)C1)C(N)=O
InChIInChI=1S/C14H28N2O2/c1-3-8-16-13(14(15)17)7-9-18-12-6-4-5-11(2)10-12/h11-13,16H,3-10H2,1-2H3,(H2,15,17)
InChIKeyPAQWXNGIFKFBSK-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.83
Rot. Bonds8

About 4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide

4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide (PubChem CID 63041133) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide
PubChem CID63041133
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide
SMILESCCCNC(CCOC1CCCC(C)C1)C(N)=O
InChIInChI=1S/C14H28N2O2/c1-3-8-16-13(14(15)17)7-9-18-12-6-4-5-11(2)10-12/h11-13,16H,3-10H2,1-2H3,(H2,15,17)
InChIKeyPAQWXNGIFKFBSK-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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Related Compounds

4-cyclobutyloxy-2-(propylamino)butanamide
CID 63035850
4-cyclohexyloxy-2-(propylamino)butanamide
CID 63039498
4-cycloheptyloxy-2-(propylamino)butanamide
CID 63039984
4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol
CID 64810001
4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide
CID 63035288
4-cycloheptyloxy-2-(ethylamino)butanamide
CID 63040361
4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid
CID 55143185
1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine
CID 107506735
2-(cyclopropylamino)-4-(4-methylcyclohexyl)oxybutanamide
CID 63040789
methyl 4-cyclobutyloxy-2-(ethylamino)butanoate
CID 63033180
ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate
CID 102607607
4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide
CID 55144151

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide?
The IUPAC name of 4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide (CID 63041133) is 4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide.
What is the SMILES notation for 4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide?
The canonical SMILES for 4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide is CCCNC(CCOC1CCCC(C)C1)C(N)=O.
What is the InChIKey of 4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide?
The InChIKey is PAQWXNGIFKFBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-8-16-13(14(15)17)7-9-18-12-6-4-5-11(2)10-12/h11-13,16H,3-10H2,1-2H3,(H2,15,17).
What are the key properties of 4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide?
4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide 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 4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide is sourced from PubChem (CID 63041133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).