4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide

C15H19N3O2 — CID 114481288

IUPAC4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1Cc1ccc(C#N)cc1C
InChIInChI=1S/C15H19N3O2/c1-11-7-12(8-16)3-4-13(11)9-18-5-6-20-10-14(18)15(19)17-2/h3-4,7,14H,5-6,9-10H2,1-2H3,(H,17,19)
InChIKeyVKHBBUHMRPWEHW-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.81
Rot. Bonds3

About 4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide

4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide (PubChem CID 114481288) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide
PubChem CID114481288
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1Cc1ccc(C#N)cc1C
InChIInChI=1S/C15H19N3O2/c1-11-7-12(8-16)3-4-13(11)9-18-5-6-20-10-14(18)15(19)17-2/h3-4,7,14H,5-6,9-10H2,1-2H3,(H,17,19)
InChIKeyVKHBBUHMRPWEHW-UHFFFAOYSA-N
XLogP0.81
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83106163
methyl 4-[(5-cyano-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 115670726
5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
CID 83102863
4-[(2-carbamothioylphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83099483
methyl (2R)-1-[(4-cyano-2-methylphenyl)methyl]piperidine-2-carboxylate
CID 104930222
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 107113577
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83097683
4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 104513820
4-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83098389
4-[(4-chloro-2-methylphenyl)methyl]morpholine-3-carboxylic acid
CID 114076020
4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101980

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide (CID 114481288) is 4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1Cc1ccc(C#N)cc1C.
What is the InChIKey of 4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is VKHBBUHMRPWEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-7-12(8-16)3-4-13(11)9-18-5-6-20-10-14(18)15(19)17-2/h3-4,7,14H,5-6,9-10H2,1-2H3,(H,17,19).
What are the key properties of 4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide?
4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 114481288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).