3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride

C18H31Cl2N3O2 — CID 120612238

IUPAC3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride
SMILESCC1CN(CCCNC(=O)CCc2ccccc2N)CC(C)O1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-14-12-21(13-15(2)23-14)11-5-10-20-18(22)9-8-16-6-3-4-7-17(16)19;;/h3-4,6-7,14-15H,5,8-13,19H2,1-2H3,(H,20,22);2*1H
InChIKeyXRFFKFURCBXFIR-UHFFFAOYSA-N
MW392.37 g/mol
LogP2.66
Rot. Bonds7

About 3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride

3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride (PubChem CID 120612238) has the molecular formula C18H31Cl2N3O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride
PubChem CID120612238
Molecular FormulaC18H31Cl2N3O2
Molecular Weight392.37 g/mol
Exact Mass391.18
IUPAC Name3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride
SMILESCC1CN(CCCNC(=O)CCc2ccccc2N)CC(C)O1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-14-12-21(13-15(2)23-14)11-5-10-20-18(22)9-8-16-6-3-4-7-17(16)19;;/h3-4,6-7,14-15H,5,8-13,19H2,1-2H3,(H,20,22);2*1H
InChIKeyXRFFKFURCBXFIR-UHFFFAOYSA-N
XLogP2.66
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 120612122
3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 107272754
2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide
CID 119946742
N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide
CID 107329565
7-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]heptanamide;dihydrochloride
CID 119840980
4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride
CID 119858913
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119840992
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(2-fluorophenyl)propanamide
CID 47041716
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 119841025
3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 55097553
4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]pentanamide;dihydrochloride
CID 120564879

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride (CID 120612238) is 3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride is CC1CN(CCCNC(=O)CCc2ccccc2N)CC(C)O1.Cl.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride?
The InChIKey is XRFFKFURCBXFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.2ClH/c1-14-12-21(13-15(2)23-14)11-5-10-20-18(22)9-8-16-6-3-4-7-17(16)19;;/h3-4,6-7,14-15H,5,8-13,19H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride?
3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride has a molecular weight of 392.37 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride is sourced from PubChem (CID 120612238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).