N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride

C17H26ClN3O2 — CID 120593685

IUPACN-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride
SMILESCC(N)(C(=O)NCCCNC(=O)C1CCC1)c1ccccc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-17(18,14-9-3-2-4-10-14)16(22)20-12-6-11-19-15(21)13-7-5-8-13;/h2-4,9-10,13H,5-8,11-12,18H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyDGFVGAMASHJFNG-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.70
Rot. Bonds7

About N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride

N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride (PubChem CID 120593685) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride
PubChem CID120593685
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride
SMILESCC(N)(C(=O)NCCCNC(=O)C1CCC1)c1ccccc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-17(18,14-9-3-2-4-10-14)16(22)20-12-6-11-19-15(21)13-7-5-8-13;/h2-4,9-10,13H,5-8,11-12,18H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyDGFVGAMASHJFNG-UHFFFAOYSA-N
XLogP1.70
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide
CID 120593686
2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-phenylpropanamide
CID 63316114
2-amino-N-[(2-hydroxycyclopentyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120590935
2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120588866
2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride
CID 120591623
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-phenylpropanamide
CID 79401075
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 120595447
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide
CID 119338181
2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride
CID 120595503
3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120700700

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride?
The IUPAC name of N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride (CID 120593685) is N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride?
The canonical SMILES for N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride is CC(N)(C(=O)NCCCNC(=O)C1CCC1)c1ccccc1.Cl.
What is the InChIKey of N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride?
The InChIKey is DGFVGAMASHJFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-17(18,14-9-3-2-4-10-14)16(22)20-12-6-11-19-15(21)13-7-5-8-13;/h2-4,9-10,13H,5-8,11-12,18H2,1H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride?
N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride is sourced from PubChem (CID 120593685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).