3-(2-aminophenyl)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]propanamide

C22H27N3O3 — CID 120609620

IUPAC3-(2-aminophenyl)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]propanamide
SMILESCC1CN(C(=O)c2ccc(NC(=O)CCc3ccccc3N)cc2)CC(C)O1
InChIInChI=1S/C22H27N3O3/c1-15-13-25(14-16(2)28-15)22(27)18-7-10-19(11-8-18)24-21(26)12-9-17-5-3-4-6-20(17)23/h3-8,10-11,15-16H,9,12-14,23H2,1-2H3,(H,24,26)
InChIKeyFEYHQIDOLJIRSD-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.09
Rot. Bonds5

About 3-(2-aminophenyl)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]propanamide

3-(2-aminophenyl)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]propanamide (PubChem CID 120609620) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]propanamide
PubChem CID120609620
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-(2-aminophenyl)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]propanamide
SMILESCC1CN(C(=O)c2ccc(NC(=O)CCc3ccccc3N)cc2)CC(C)O1
InChIInChI=1S/C22H27N3O3/c1-15-13-25(14-16(2)28-15)22(27)18-7-10-19(11-8-18)24-21(26)12-9-17-5-3-4-6-20(17)23/h3-8,10-11,15-16H,9,12-14,23H2,1-2H3,(H,24,26)
InChIKeyFEYHQIDOLJIRSD-UHFFFAOYSA-N
XLogP3.09
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide
CID 110671816
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]urea
CID 42915501
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119744220
2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 119744229
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride
CID 120608448
2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119744228
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride
CID 120612238
4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride
CID 120608128
3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 107272723
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119744249

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]propanamide (CID 120609620) is 3-(2-aminophenyl)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]propanamide is CC1CN(C(=O)c2ccc(NC(=O)CCc3ccccc3N)cc2)CC(C)O1.
What is the InChIKey of 3-(2-aminophenyl)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]propanamide?
The InChIKey is FEYHQIDOLJIRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15-13-25(14-16(2)28-15)22(27)18-7-10-19(11-8-18)24-21(26)12-9-17-5-3-4-6-20(17)23/h3-8,10-11,15-16H,9,12-14,23H2,1-2H3,(H,24,26).
What are the key properties of 3-(2-aminophenyl)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]propanamide?
3-(2-aminophenyl)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]propanamide has a molecular weight of 381.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]propanamide is sourced from PubChem (CID 120609620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).