N-(2-morpholin-4-ylphenyl)-3-oxobutanamide

C14H18N2O3 — CID 18071535

IUPACN-(2-morpholin-4-ylphenyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C14H18N2O3/c1-11(17)10-14(18)15-12-4-2-3-5-13(12)16-6-8-19-9-7-16/h2-5H,6-10H2,1H3,(H,15,18)
InChIKeyHBJVTKSTCVWIHW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.44
Rot. Bonds4

About N-(2-morpholin-4-ylphenyl)-3-oxobutanamide

N-(2-morpholin-4-ylphenyl)-3-oxobutanamide (PubChem CID 18071535) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-3-oxobutanamide
PubChem CID18071535
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(2-morpholin-4-ylphenyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C14H18N2O3/c1-11(17)10-14(18)15-12-4-2-3-5-13(12)16-6-8-19-9-7-16/h2-5H,6-10H2,1H3,(H,15,18)
InChIKeyHBJVTKSTCVWIHW-UHFFFAOYSA-N
XLogP1.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108951131
N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide
CID 110688626
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545
N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108953647
2-[acetyl(propan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158255
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108956543
2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 2813228
2-(2-aminophenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 28712686
3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid
CID 2813229
(3S)-N-(2-morpholin-4-ylphenyl)-3-phenylbutanamide
CID 8005269
2-[acetyl(propyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158058

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-3-oxobutanamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-3-oxobutanamide (CID 18071535) is N-(2-morpholin-4-ylphenyl)-3-oxobutanamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-3-oxobutanamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-3-oxobutanamide is CC(=O)CC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-3-oxobutanamide?
The InChIKey is HBJVTKSTCVWIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-11(17)10-14(18)15-12-4-2-3-5-13(12)16-6-8-19-9-7-16/h2-5H,6-10H2,1H3,(H,15,18).
What are the key properties of N-(2-morpholin-4-ylphenyl)-3-oxobutanamide?
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide has a molecular weight of 262.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-3-oxobutanamide is sourced from PubChem (CID 18071535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).