3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide

C22H25N3O2 — CID 34469649

IUPAC3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C22H25N3O2/c1-24(22(26)11-8-18-2-4-19(16-23)5-3-18)17-20-6-9-21(10-7-20)25-12-14-27-15-13-25/h2-7,9-10H,8,11-15,17H2,1H3
InChIKeyIQYWYAGRGKJDPH-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.99
Rot. Bonds6

About 3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide

3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide (PubChem CID 34469649) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
PubChem CID34469649
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C22H25N3O2/c1-24(22(26)11-8-18-2-4-19(16-23)5-3-18)17-20-6-9-21(10-7-20)25-12-14-27-15-13-25/h2-7,9-10H,8,11-15,17H2,1H3
InChIKeyIQYWYAGRGKJDPH-UHFFFAOYSA-N
XLogP2.99
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 31947728
N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31988955
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 134013174
3-(furan-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 134013135
3-(4-tert-butylphenyl)-N-[(4-cyanophenyl)methyl]-N-methylpropanamide
CID 39859716
N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110651342
4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 55826912
3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide
CID 90748205
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799
3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide
CID 112803801
4-[[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzonitrile
CID 56796714
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134036565

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide (CID 34469649) is 3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccc(C#N)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The InChIKey is IQYWYAGRGKJDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-24(22(26)11-8-18-2-4-19(16-23)5-3-18)17-20-6-9-21(10-7-20)25-12-14-27-15-13-25/h2-7,9-10H,8,11-15,17H2,1H3.
What are the key properties of 3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide is sourced from PubChem (CID 34469649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).