2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride

C17H29Cl2N3O2 — CID 120595503

IUPAC2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride
SMILESCC(N)(C(=O)NCCCCN1CCOCC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-17(18,15-7-3-2-4-8-15)16(21)19-9-5-6-10-20-11-13-22-14-12-20;;/h2-4,7-8H,5-6,9-14,18H2,1H3,(H,19,21);2*1H
InChIKeyTZUNHSNXEWTUDE-UHFFFAOYSA-N
MW378.34 g/mol
LogP1.93
Rot. Bonds7

About 2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride

2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride (PubChem CID 120595503) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is 2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride
PubChem CID120595503
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC Name2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride
SMILESCC(N)(C(=O)NCCCCN1CCOCC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-17(18,15-7-3-2-4-8-15)16(21)19-9-5-6-10-20-11-13-22-14-12-20;;/h2-4,7-8H,5-6,9-14,18H2,1H3,(H,19,21);2*1H
InChIKeyTZUNHSNXEWTUDE-UHFFFAOYSA-N
XLogP1.93
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 51.93
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

2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride
CID 120597539
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 120595447
2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120588866
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
2-amino-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-phenylpropanamide
CID 120595092
2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120590902
(2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride
CID 119852486
2-ethyl-4-morpholin-4-yl-2-phenylbutanamide
CID 18114
1-(2-hydroxy-2-phenylpropyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 111334586
N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide
CID 6734075
4-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-phenylpentanamide
CID 110353950

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride (CID 120595503) is 2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride is CC(N)(C(=O)NCCCCN1CCOCC1)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride?
The InChIKey is TZUNHSNXEWTUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-17(18,15-7-3-2-4-8-15)16(21)19-9-5-6-10-20-11-13-22-14-12-20;;/h2-4,7-8H,5-6,9-14,18H2,1H3,(H,19,21);2*1H.
What are the key properties of 2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride?
2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120595503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).