(2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide

C15H19N3O3 — CID 128987013

IUPAC(2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
SMILESCOc1ccc(C#N)cc1CN1CCO[C@H](C)[C@H]1C(N)=O
InChIInChI=1S/C15H19N3O3/c1-10-14(15(17)19)18(5-6-21-10)9-12-7-11(8-16)3-4-13(12)20-2/h3-4,7,10,14H,5-6,9H2,1-2H3,(H2,17,19)/t10-,14+/m1/s1
InChIKeyVGZCCEBWRDVNJD-YGRLFVJLSA-N
MW289.33 g/mol
LogP0.64
Rot. Bonds4

About (2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide (PubChem CID 128987013) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
PubChem CID128987013
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
SMILESCOc1ccc(C#N)cc1CN1CCO[C@H](C)[C@H]1C(N)=O
InChIInChI=1S/C15H19N3O3/c1-10-14(15(17)19)18(5-6-21-10)9-12-7-11(8-16)3-4-13(12)20-2/h3-4,7,10,14H,5-6,9H2,1-2H3,(H2,17,19)/t10-,14+/m1/s1
InChIKeyVGZCCEBWRDVNJD-YGRLFVJLSA-N
XLogP0.64
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983267
3-[(4-amino-2-methylpiperidin-1-yl)methyl]-4-methoxybenzonitrile
CID 115312973
3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-methoxybenzonitrile
CID 115750662
3-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]-4-methoxybenzonitrile
CID 129346536
3-[[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]-4-methoxybenzonitrile
CID 129346535
(2R,3S)-4-[(4-bromo-2-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983411
(2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983412
4-methoxy-3-[(2-methylthiomorpholin-4-yl)methyl]benzonitrile
CID 115749596
3-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-4-methoxybenzonitrile
CID 115963753
methyl 4-[(5-cyano-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 115670726
3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylmethyl)-4-methoxybenzonitrile
CID 102681593
3-[[3-hydroxy-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-4-methoxybenzonitrile
CID 128987402

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide (CID 128987013) is (2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide is COc1ccc(C#N)cc1CN1CCO[C@H](C)[C@H]1C(N)=O.
What is the InChIKey of (2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is VGZCCEBWRDVNJD-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-14(15(17)19)18(5-6-21-10)9-12-7-11(8-16)3-4-13(12)20-2/h3-4,7,10,14H,5-6,9H2,1-2H3,(H2,17,19)/t10-,14+/m1/s1.
What are the key properties of (2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 128987013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).