3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide

C13H15N3O2 — CID 110190200

IUPAC3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide
SMILESCc1cccc(NC(=O)N2CCOCC2C#N)c1
InChIInChI=1S/C13H15N3O2/c1-10-3-2-4-11(7-10)15-13(17)16-5-6-18-9-12(16)8-14/h2-4,7,12H,5-6,9H2,1H3,(H,15,17)
InChIKeySLCWBJRTEPNNOB-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.75
Rot. Bonds1

About 3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide

3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide (PubChem CID 110190200) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide
PubChem CID110190200
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide
SMILESCc1cccc(NC(=O)N2CCOCC2C#N)c1
InChIInChI=1S/C13H15N3O2/c1-10-3-2-4-11(7-10)15-13(17)16-5-6-18-9-12(16)8-14/h2-4,7,12H,5-6,9H2,1H3,(H,15,17)
InChIKeySLCWBJRTEPNNOB-UHFFFAOYSA-N
XLogP1.75
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-cyanophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine-4-carboxamide
CID 97330611
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
(3R)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887206
3-methyl-N-phenylmorpholine-4-carboxamide
CID 47166676
(3S)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887208
(2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 35526941
N-(3-methylphenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 71675462
(3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide
CID 96518024
N-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide
CID 61342049
methyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate
CID 104774908
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-(3-methylphenyl)acetamide
CID 110671847

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide?
The IUPAC name of 3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide (CID 110190200) is 3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for 3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide?
The canonical SMILES for 3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide is Cc1cccc(NC(=O)N2CCOCC2C#N)c1.
What is the InChIKey of 3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide?
The InChIKey is SLCWBJRTEPNNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10-3-2-4-11(7-10)15-13(17)16-5-6-18-9-12(16)8-14/h2-4,7,12H,5-6,9H2,1H3,(H,15,17).
What are the key properties of 3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide?
3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 110190200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).