3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide

C17H23N3O2 — CID 35361039

IUPAC3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
SMILESCC(C)CN1CCO[C@H](CNC(=O)c2cccc(C#N)c2)C1
InChIInChI=1S/C17H23N3O2/c1-13(2)11-20-6-7-22-16(12-20)10-19-17(21)15-5-3-4-14(8-15)9-18/h3-5,8,13,16H,6-7,10-12H2,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeyMNDMFKNBKULGAQ-MRXNPFEDSA-N
MW301.39 g/mol
LogP1.64
Rot. Bonds5

About 3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide

3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide (PubChem CID 35361039) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
PubChem CID35361039
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
SMILESCC(C)CN1CCO[C@H](CNC(=O)c2cccc(C#N)c2)C1
InChIInChI=1S/C17H23N3O2/c1-13(2)11-20-6-7-22-16(12-20)10-19-17(21)15-5-3-4-14(8-15)9-18/h3-5,8,13,16H,6-7,10-12H2,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeyMNDMFKNBKULGAQ-MRXNPFEDSA-N
XLogP1.64
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-nitrobenzamide
CID 42887586
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24642334
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
CID 35365780
2-(4-cyanophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51214759
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
N-ethyl-3-[[[ethylamino-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methylidene]amino]methyl]benzamide
CID 111369155
N-ethyl-3-[[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111369205
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 78838978
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51074161
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 43017063

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of 3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide (CID 35361039) is 3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for 3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide is CC(C)CN1CCO[C@H](CNC(=O)c2cccc(C#N)c2)C1.
What is the InChIKey of 3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is MNDMFKNBKULGAQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(2)11-20-6-7-22-16(12-20)10-19-17(21)15-5-3-4-14(8-15)9-18/h3-5,8,13,16H,6-7,10-12H2,1-2H3,(H,19,21)/t16-/m1/s1.
What are the key properties of 3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 301.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 35361039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).