2-acetamido-3-(cyclohexylmethoxy)-N-methylbutanamide

C14H26N2O3 — CID 164604801

IUPAC2-acetamido-3-(cyclohexylmethoxy)-N-methylbutanamide
SMILESCNC(=O)C(NC(C)=O)C(C)OCC1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-10(13(14(18)15-3)16-11(2)17)19-9-12-7-5-4-6-8-12/h10,12-13H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyOBDPZTQPYKNQLA-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.22
Rot. Bonds6

About 2-acetamido-3-(cyclohexylmethoxy)-N-methylbutanamide

2-acetamido-3-(cyclohexylmethoxy)-N-methylbutanamide (PubChem CID 164604801) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-acetamido-3-(cyclohexylmethoxy)-N-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-3-(cyclohexylmethoxy)-N-methylbutanamide
PubChem CID164604801
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-acetamido-3-(cyclohexylmethoxy)-N-methylbutanamide
SMILESCNC(=O)C(NC(C)=O)C(C)OCC1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-10(13(14(18)15-3)16-11(2)17)19-9-12-7-5-4-6-8-12/h10,12-13H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyOBDPZTQPYKNQLA-UHFFFAOYSA-N
XLogP1.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(cyclohexylmethoxy)-N-methylbutanamide?
The IUPAC name of 2-acetamido-3-(cyclohexylmethoxy)-N-methylbutanamide (CID 164604801) is 2-acetamido-3-(cyclohexylmethoxy)-N-methylbutanamide.
What is the SMILES notation for 2-acetamido-3-(cyclohexylmethoxy)-N-methylbutanamide?
The canonical SMILES for 2-acetamido-3-(cyclohexylmethoxy)-N-methylbutanamide is CNC(=O)C(NC(C)=O)C(C)OCC1CCCCC1.
What is the InChIKey of 2-acetamido-3-(cyclohexylmethoxy)-N-methylbutanamide?
The InChIKey is OBDPZTQPYKNQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(13(14(18)15-3)16-11(2)17)19-9-12-7-5-4-6-8-12/h10,12-13H,4-9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-acetamido-3-(cyclohexylmethoxy)-N-methylbutanamide?
2-acetamido-3-(cyclohexylmethoxy)-N-methylbutanamide has a molecular weight of 270.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(cyclohexylmethoxy)-N-methylbutanamide is sourced from PubChem (CID 164604801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).