2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide

C27H27N3O3 — CID 17438662

IUPAC2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccccc2-c2ccccc2C#N)N2CCOCC2)cc1
InChIInChI=1S/C27H27N3O3/c1-32-22-12-10-20(11-13-22)26(30-14-16-33-17-15-30)19-29-27(31)25-9-5-4-8-24(25)23-7-3-2-6-21(23)18-28/h2-13,26H,14-17,19H2,1H3,(H,29,31)
InChIKeyLXECIZZAEPWPDB-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.04
Rot. Bonds7

About 2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide

2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 17438662) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID17438662
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccccc2-c2ccccc2C#N)N2CCOCC2)cc1
InChIInChI=1S/C27H27N3O3/c1-32-22-12-10-20(11-13-22)26(30-14-16-33-17-15-30)19-29-27(31)25-9-5-4-8-24(25)23-7-3-2-6-21(23)18-28/h2-13,26H,14-17,19H2,1H3,(H,29,31)
InChIKeyLXECIZZAEPWPDB-UHFFFAOYSA-N
XLogP4.04
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25467103
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25467101
2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 60533705
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 55331292
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1H-indole-3-carboxamide
CID 31909519
2-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 18161663
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 2998590
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]-2-methoxybenzamide
CID 112503598
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide (CID 17438662) is 2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide is COc1ccc(C(CNC(=O)c2ccccc2-c2ccccc2C#N)N2CCOCC2)cc1.
What is the InChIKey of 2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is LXECIZZAEPWPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-32-22-12-10-20(11-13-22)26(30-14-16-33-17-15-30)19-29-27(31)25-9-5-4-8-24(25)23-7-3-2-6-21(23)18-28/h2-13,26H,14-17,19H2,1H3,(H,29,31).
What are the key properties of 2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 17438662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).