2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide;ethane

C17H34N2O4 — CID 170758765

IUPAC2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide;ethane
SMILESCC.CNC(=O)C(NC(C)=O)C(C)OCC1CCC(OC)CC1
InChIInChI=1S/C15H28N2O4.C2H6/c1-10(14(15(19)16-3)17-11(2)18)21-9-12-5-7-13(20-4)8-6-12;1-2/h10,12-14H,5-9H2,1-4H3,(H,16,19)(H,17,18);1-2H3
InChIKeyVDDWNLJTSCBUHA-UHFFFAOYSA-N
MW330.47 g/mol
LogP1.87
Rot. Bonds7

About 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide;ethane

2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide;ethane (PubChem CID 170758765) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide;ethane.

Molecular Properties

Compound Name2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide;ethane
PubChem CID170758765
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC Name2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide;ethane
SMILESCC.CNC(=O)C(NC(C)=O)C(C)OCC1CCC(OC)CC1
InChIInChI=1S/C15H28N2O4.C2H6/c1-10(14(15(19)16-3)17-11(2)18)21-9-12-5-7-13(20-4)8-6-12;1-2/h10,12-14H,5-9H2,1-4H3,(H,16,19)(H,17,18);1-2H3
InChIKeyVDDWNLJTSCBUHA-UHFFFAOYSA-N
XLogP1.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide;ethane?
The IUPAC name of 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide;ethane (CID 170758765) is 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide;ethane.
What is the SMILES notation for 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide;ethane?
The canonical SMILES for 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide;ethane is CC.CNC(=O)C(NC(C)=O)C(C)OCC1CCC(OC)CC1.
What is the InChIKey of 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide;ethane?
The InChIKey is VDDWNLJTSCBUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4.C2H6/c1-10(14(15(19)16-3)17-11(2)18)21-9-12-5-7-13(20-4)8-6-12;1-2/h10,12-14H,5-9H2,1-4H3,(H,16,19)(H,17,18);1-2H3.
What are the key properties of 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide;ethane?
2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide;ethane has a molecular weight of 330.47 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide;ethane is sourced from PubChem (CID 170758765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).