2-acetamido-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide

C15H28N2O3 — CID 164604691

IUPAC2-acetamido-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide
SMILESCNC(=O)C(NC(C)=O)C(C)OCC1CCC(C)CC1
InChIInChI=1S/C15H28N2O3/c1-10-5-7-13(8-6-10)9-20-11(2)14(15(19)16-4)17-12(3)18/h10-11,13-14H,5-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyPWGFMTVRKYQVKL-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.47
Rot. Bonds6

About 2-acetamido-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide

2-acetamido-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide (PubChem CID 164604691) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-acetamido-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide.

Molecular Properties

Compound Name2-acetamido-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide
PubChem CID164604691
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-acetamido-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide
SMILESCNC(=O)C(NC(C)=O)C(C)OCC1CCC(C)CC1
InChIInChI=1S/C15H28N2O3/c1-10-5-7-13(8-6-10)9-20-11(2)14(15(19)16-4)17-12(3)18/h10-11,13-14H,5-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyPWGFMTVRKYQVKL-UHFFFAOYSA-N
XLogP1.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide?
The IUPAC name of 2-acetamido-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide (CID 164604691) is 2-acetamido-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide.
What is the SMILES notation for 2-acetamido-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide?
The canonical SMILES for 2-acetamido-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide is CNC(=O)C(NC(C)=O)C(C)OCC1CCC(C)CC1.
What is the InChIKey of 2-acetamido-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide?
The InChIKey is PWGFMTVRKYQVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10-5-7-13(8-6-10)9-20-11(2)14(15(19)16-4)17-12(3)18/h10-11,13-14H,5-9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-acetamido-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide?
2-acetamido-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide has a molecular weight of 284.40 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide is sourced from PubChem (CID 164604691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).