N-(3-methylphenyl)-3-morpholin-4-ylpropanamide

C14H20N2O2 — CID 739956

IUPACN-(3-methylphenyl)-3-morpholin-4-ylpropanamide
SMILESCc1cccc(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C14H20N2O2/c1-12-3-2-4-13(11-12)15-14(17)5-6-16-7-9-18-10-8-16/h2-4,11H,5-10H2,1H3,(H,15,17)
InChIKeyZBVHWIXRHUADOL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.66
Rot. Bonds4

About N-(3-methylphenyl)-3-morpholin-4-ylpropanamide

N-(3-methylphenyl)-3-morpholin-4-ylpropanamide (PubChem CID 739956) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-morpholin-4-ylpropanamide
PubChem CID739956
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(3-methylphenyl)-3-morpholin-4-ylpropanamide
SMILESCc1cccc(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C14H20N2O2/c1-12-3-2-4-13(11-12)15-14(17)5-6-16-7-9-18-10-8-16/h2-4,11H,5-10H2,1H3,(H,15,17)
InChIKeyZBVHWIXRHUADOL-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(3-methylphenyl)-3-morpholin-4-ylpropanamide (CID 739956) is N-(3-methylphenyl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(3-methylphenyl)-3-morpholin-4-ylpropanamide is Cc1cccc(NC(=O)CCN2CCOCC2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-morpholin-4-ylpropanamide?
The InChIKey is ZBVHWIXRHUADOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12-3-2-4-13(11-12)15-14(17)5-6-16-7-9-18-10-8-16/h2-4,11H,5-10H2,1H3,(H,15,17).
What are the key properties of N-(3-methylphenyl)-3-morpholin-4-ylpropanamide?
N-(3-methylphenyl)-3-morpholin-4-ylpropanamide has a molecular weight of 248.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 739956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).