N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide

C20H21N3O2 — CID 110651342

IUPACN-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H21N3O2/c21-15-17-1-6-18(7-2-17)22-20(24)10-5-16-3-8-19(9-4-16)23-11-13-25-14-12-23/h1-4,6-9H,5,10-14H2,(H,22,24)
InChIKeyKPIDFHVQIORIHK-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.97
Rot. Bonds5

About N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide

N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 110651342) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
PubChem CID110651342
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H21N3O2/c21-15-17-1-6-18(7-2-17)22-20(24)10-5-16-3-8-19(9-4-16)23-11-13-25-14-12-23/h1-4,6-9H,5,10-14H2,(H,22,24)
InChIKeyKPIDFHVQIORIHK-UHFFFAOYSA-N
XLogP2.97
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide
CID 112803801
N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035
N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110649726
3-(4-cyanophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 71809777
3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide
CID 97427806
3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 34469649
N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62058920
N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55754980
4-[3-(4-cyanophenyl)propanoylamino]benzamide
CID 41484593
N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30400948

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide (CID 110651342) is N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide is N#Cc1ccc(NC(=O)CCc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is KPIDFHVQIORIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c21-15-17-1-6-18(7-2-17)22-20(24)10-5-16-3-8-19(9-4-16)23-11-13-25-14-12-23/h1-4,6-9H,5,10-14H2,(H,22,24).
What are the key properties of N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide?
N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 110651342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).