3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide

C22H25N3O2 — CID 126443395

IUPAC3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide
SMILESC[C@H](CCNC(=O)c1cccc(-c2ccccc2C#N)c1)N1CCOCC1
InChIInChI=1S/C22H25N3O2/c1-17(25-11-13-27-14-12-25)9-10-24-22(26)19-7-4-6-18(15-19)21-8-3-2-5-20(21)16-23/h2-8,15,17H,9-14H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeyKQJKZABOGFSNBL-QGZVFWFLSA-N
MW363.46 g/mol
LogP3.07
Rot. Bonds6

About 3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide

3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide (PubChem CID 126443395) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide.

Molecular Properties

Compound Name3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide
PubChem CID126443395
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide
SMILESC[C@H](CCNC(=O)c1cccc(-c2ccccc2C#N)c1)N1CCOCC1
InChIInChI=1S/C22H25N3O2/c1-17(25-11-13-27-14-12-25)9-10-24-22(26)19-7-4-6-18(15-19)21-8-3-2-5-20(21)16-23/h2-8,15,17H,9-14H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeyKQJKZABOGFSNBL-QGZVFWFLSA-N
XLogP3.07
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide?
The IUPAC name of 3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide (CID 126443395) is 3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide.
What is the SMILES notation for 3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide?
The canonical SMILES for 3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide is C[C@H](CCNC(=O)c1cccc(-c2ccccc2C#N)c1)N1CCOCC1.
What is the InChIKey of 3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide?
The InChIKey is KQJKZABOGFSNBL-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17(25-11-13-27-14-12-25)9-10-24-22(26)19-7-4-6-18(15-19)21-8-3-2-5-20(21)16-23/h2-8,15,17H,9-14H2,1H3,(H,24,26)/t17-/m1/s1.
What are the key properties of 3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide?
3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide is sourced from PubChem (CID 126443395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).