2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride

C15H21ClN4O3 — CID 120668367

IUPAC2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)NCCCN2C(=O)CNC2=O)cc1.Cl
InChIInChI=1S/C15H20N4O3.ClH/c1-10-3-5-11(6-4-10)13(16)14(21)17-7-2-8-19-12(20)9-18-15(19)22;/h3-6,13H,2,7-9,16H2,1H3,(H,17,21)(H,18,22);1H
InChIKeyRIAZWXMGVLBAQU-UHFFFAOYSA-N
MW340.81 g/mol
LogP0.47
Rot. Bonds6

About 2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride

2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 120668367) has the molecular formula C15H21ClN4O3 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride
PubChem CID120668367
Molecular FormulaC15H21ClN4O3
Molecular Weight340.81 g/mol
Exact Mass340.13
IUPAC Name2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)NCCCN2C(=O)CNC2=O)cc1.Cl
InChIInChI=1S/C15H20N4O3.ClH/c1-10-3-5-11(6-4-10)13(16)14(21)17-7-2-8-19-12(20)9-18-15(19)22;/h3-6,13H,2,7-9,16H2,1H3,(H,17,21)(H,18,22);1H
InChIKeyRIAZWXMGVLBAQU-UHFFFAOYSA-N
XLogP0.47
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride
CID 119779521
2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride
CID 120669272
2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669271
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669700
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110719140
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 120669404
2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 106151736
2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 106151650
2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669868
2-amino-N-(2-cyclopropylethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668581
2-amino-N-(3-anilinopropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669990

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride (CID 120668367) is 2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride is Cc1ccc(C(N)C(=O)NCCCN2C(=O)CNC2=O)cc1.Cl.
What is the InChIKey of 2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is RIAZWXMGVLBAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3.ClH/c1-10-3-5-11(6-4-10)13(16)14(21)17-7-2-8-19-12(20)9-18-15(19)22;/h3-6,13H,2,7-9,16H2,1H3,(H,17,21)(H,18,22);1H.
What are the key properties of 2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride?
2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 340.81 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120668367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).