N-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride

C17H25ClN4O3 — CID 119549201

IUPACN-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
SMILESCCC1(CC)NC(=O)N(CC(=O)NCCc2ccc(N)cc2)C1=O.Cl
InChIInChI=1S/C17H24N4O3.ClH/c1-3-17(4-2)15(23)21(16(24)20-17)11-14(22)19-10-9-12-5-7-13(18)8-6-12;/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,22)(H,20,24);1H
InChIKeyDCBVUFCMZIGLCC-UHFFFAOYSA-N
MW368.87 g/mol
LogP1.46
Rot. Bonds7

About N-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride (PubChem CID 119549201) has the molecular formula C17H25ClN4O3 and a molecular weight of 368.87 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
PubChem CID119549201
Molecular FormulaC17H25ClN4O3
Molecular Weight368.87 g/mol
Exact Mass368.16
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
SMILESCCC1(CC)NC(=O)N(CC(=O)NCCc2ccc(N)cc2)C1=O.Cl
InChIInChI=1S/C17H24N4O3.ClH/c1-3-17(4-2)15(23)21(16(24)20-17)11-14(22)19-10-9-12-5-7-13(18)8-6-12;/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,22)(H,20,24);1H
InChIKeyDCBVUFCMZIGLCC-UHFFFAOYSA-N
XLogP1.46
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 119548393
N-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
CID 119549660
N-(2-aminoethyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119384721
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7998160
N-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 119408013
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8946850
N-[2-(4-chlorophenyl)ethyl]-2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916679
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2117097
methyl 4-[[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]benzoate
CID 7181118
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 24592800
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 41153699

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride (CID 119549201) is N-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride is CCC1(CC)NC(=O)N(CC(=O)NCCc2ccc(N)cc2)C1=O.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
The InChIKey is DCBVUFCMZIGLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3.ClH/c1-3-17(4-2)15(23)21(16(24)20-17)11-14(22)19-10-9-12-5-7-13(18)8-6-12;/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,22)(H,20,24);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride has a molecular weight of 368.87 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119549201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).