3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride

C21H26ClN3O3 — CID 120608729

IUPAC3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H25N3O3.ClH/c22-19-4-2-1-3-17(19)7-10-20(25)23-18-8-5-16(6-9-18)15-21(26)24-11-13-27-14-12-24;/h1-6,8-9H,7,10-15,22H2,(H,23,25);1H
InChIKeyGSXHYIWXMNBBSG-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.66
Rot. Bonds6

About 3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride (PubChem CID 120608729) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride
PubChem CID120608729
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H25N3O3.ClH/c22-19-4-2-1-3-17(19)7-10-20(25)23-18-8-5-16(6-9-18)15-21(26)24-11-13-27-14-12-24;/h1-6,8-9H,7,10-15,22H2,(H,23,25);1H
InChIKeyGSXHYIWXMNBBSG-UHFFFAOYSA-N
XLogP2.66
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.66
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

3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 120612232
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 120559975
3-(2-aminophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 120608564
4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 120612721
3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide
CID 120611492
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide
CID 122144724
3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 120608825
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 119712469
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119422748
2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide
CID 39939581

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride (CID 120608729) is 3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride is Cl.Nc1ccccc1CCC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride?
The InChIKey is GSXHYIWXMNBBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3.ClH/c22-19-4-2-1-3-17(19)7-10-20(25)23-18-8-5-16(6-9-18)15-21(26)24-11-13-27-14-12-24;/h1-6,8-9H,7,10-15,22H2,(H,23,25);1H.
What are the key properties of 3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 2.66, 6 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-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120608729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).