N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide

C15H20N2O3 — CID 108943433

IUPACN-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
SMILESCc1cccc(CNC(=O)CC(=O)N2CCOCC2)c1
InChIInChI=1S/C15H20N2O3/c1-12-3-2-4-13(9-12)11-16-14(18)10-15(19)17-5-7-20-8-6-17/h2-4,9H,5-8,10-11H2,1H3,(H,16,18)
InChIKeyYINHPVDNNPLXRH-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.86
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide

N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide (PubChem CID 108943433) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
PubChem CID108943433
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
SMILESCc1cccc(CNC(=O)CC(=O)N2CCOCC2)c1
InChIInChI=1S/C15H20N2O3/c1-12-3-2-4-13(9-12)11-16-14(18)10-15(19)17-5-7-20-8-6-17/h2-4,9H,5-8,10-11H2,1H3,(H,16,18)
InChIKeyYINHPVDNNPLXRH-UHFFFAOYSA-N
XLogP0.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
CID 108943434
N-[(3-methylphenyl)methyl]-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973043
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994751
N-[(3-methylphenyl)methyl]-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108945570
3-morpholin-4-yl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108943446
N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016697
2-[(3-methylphenyl)methoxy]-1-morpholin-4-ylethanone
CID 173269942
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide
CID 108996983
N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 9473849
N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 110687973
ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide
CID 145404555

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide (CID 108943433) is N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide is Cc1cccc(CNC(=O)CC(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide?
The InChIKey is YINHPVDNNPLXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-12-3-2-4-13(9-12)11-16-14(18)10-15(19)17-5-7-20-8-6-17/h2-4,9H,5-8,10-11H2,1H3,(H,16,18).
What are the key properties of N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide?
N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide has a molecular weight of 276.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide is sourced from PubChem (CID 108943433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).