2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide

C17H32N2O2 — CID 78789816

IUPAC2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
SMILESCCCC(C)C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H32N2O2/c1-3-7-15(2)16(20)18-14-17(8-5-4-6-9-17)19-10-12-21-13-11-19/h15H,3-14H2,1-2H3,(H,18,20)
InChIKeyPZPVVZSYKMOHOA-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.57
Rot. Bonds6

About 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide

2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide (PubChem CID 78789816) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
PubChem CID78789816
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
SMILESCCCC(C)C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H32N2O2/c1-3-7-15(2)16(20)18-14-17(8-5-4-6-9-17)19-10-12-21-13-11-19/h15H,3-14H2,1-2H3,(H,18,20)
InChIKeyPZPVVZSYKMOHOA-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide?
The IUPAC name of 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide (CID 78789816) is 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide.
What is the SMILES notation for 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide?
The canonical SMILES for 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide is CCCC(C)C(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide?
The InChIKey is PZPVVZSYKMOHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-7-15(2)16(20)18-14-17(8-5-4-6-9-17)19-10-12-21-13-11-19/h15H,3-14H2,1-2H3,(H,18,20).
What are the key properties of 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide?
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide has a molecular weight of 296.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide is sourced from PubChem (CID 78789816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).