3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide

C24H28N4O3 — CID 112803801

IUPAC3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide
SMILESN#Cc1ccc(CCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1
InChIInChI=1S/C24H28N4O3/c25-18-20-3-1-19(2-4-20)5-8-24(29)26-22-7-6-21(27-9-13-30-14-10-27)17-23(22)28-11-15-31-16-12-28/h1-4,6-7,17H,5,8-16H2,(H,26,29)
InChIKeyNXEGMZIHOOFIDJ-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.80
Rot. Bonds6

About 3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide

3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide (PubChem CID 112803801) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide
PubChem CID112803801
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide
SMILESN#Cc1ccc(CCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1
InChIInChI=1S/C24H28N4O3/c25-18-20-3-1-19(2-4-20)5-8-24(29)26-22-7-6-21(27-9-13-30-14-10-27)17-23(22)28-11-15-31-16-12-28/h1-4,6-7,17H,5,8-16H2,(H,26,29)
InChIKeyNXEGMZIHOOFIDJ-UHFFFAOYSA-N
XLogP2.80
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110651342
4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide
CID 119900958
N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 2990376
3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 34469649
3-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)propanamide
CID 28713588
N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035
N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110649726
2-(4-cyanophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 16552240
N-(2,4-dimorpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4850126
N-(2,4-dimorpholin-4-ylphenyl)-5-(dithiolan-3-yl)pentanamide
CID 24648058
4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)benzonitrile
CID 11068507
N-cyclopropyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110647271

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide (CID 112803801) is 3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide is N#Cc1ccc(CCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide?
The InChIKey is NXEGMZIHOOFIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c25-18-20-3-1-19(2-4-20)5-8-24(29)26-22-7-6-21(27-9-13-30-14-10-27)17-23(22)28-11-15-31-16-12-28/h1-4,6-7,17H,5,8-16H2,(H,26,29).
What are the key properties of 3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide?
3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide has a molecular weight of 420.51 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-(2,4-dimorpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 112803801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).