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

C18H31Cl2N3O2 — CID 119840992

IUPAC2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride
SMILESCC1CN(CCCNC(=O)C(N)Cc2ccccc2)CC(C)O1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-14-12-21(13-15(2)23-14)10-6-9-20-18(22)17(19)11-16-7-4-3-5-8-16;;/h3-5,7-8,14-15,17H,6,9-13,19H2,1-2H3,(H,20,22);2*1H
InChIKeyMUOPOBZFRMZBBU-UHFFFAOYSA-N
MW392.37 g/mol
LogP2.02
Rot. Bonds7

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

2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119840992) has the molecular formula C18H31Cl2N3O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is 2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119840992
Molecular FormulaC18H31Cl2N3O2
Molecular Weight392.37 g/mol
Exact Mass391.18
IUPAC Name2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride
SMILESCC1CN(CCCNC(=O)C(N)Cc2ccccc2)CC(C)O1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-14-12-21(13-15(2)23-14)10-6-9-20-18(22)17(19)11-16-7-4-3-5-8-16;;/h3-5,7-8,14-15,17H,6,9-13,19H2,1-2H3,(H,20,22);2*1H
InChIKeyMUOPOBZFRMZBBU-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea
CID 51333998
(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61148531
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-phenylprop-2-ynamide
CID 97039116
(2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 78984703
(2S)-2-amino-N-[3-(ethylsulfonylamino)propyl]-3-phenylpropanamide;hydrochloride
CID 119311621
3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride
CID 120612238
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
CID 113264265
(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
CID 81433070
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
CID 97183881
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
CID 134824441

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride (CID 119840992) is 2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride is CC1CN(CCCNC(=O)C(N)Cc2ccccc2)CC(C)O1.Cl.Cl.
What is the InChIKey of 2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is MUOPOBZFRMZBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.2ClH/c1-14-12-21(13-15(2)23-14)10-6-9-20-18(22)17(19)11-16-7-4-3-5-8-16;;/h3-5,7-8,14-15,17H,6,9-13,19H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride?
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 392.37 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119840992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).