N-(3-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride

C13H23ClN4O3 — CID 119998026

IUPACN-(3-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
SMILESCC(CN)CNC(=O)CN1C(=O)NC(C)(C2CC2)C1=O.Cl
InChIInChI=1S/C13H22N4O3.ClH/c1-8(5-14)6-15-10(18)7-17-11(19)13(2,9-3-4-9)16-12(17)20;/h8-9H,3-7,14H2,1-2H3,(H,15,18)(H,16,20);1H
InChIKeyFIQHNOOJJSTNKV-UHFFFAOYSA-N
MW318.81 g/mol
LogP-0.16
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride

N-(3-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride (PubChem CID 119998026) has the molecular formula C13H23ClN4O3 and a molecular weight of 318.81 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
PubChem CID119998026
Molecular FormulaC13H23ClN4O3
Molecular Weight318.81 g/mol
Exact Mass318.15
IUPAC NameN-(3-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
SMILESCC(CN)CNC(=O)CN1C(=O)NC(C)(C2CC2)C1=O.Cl
InChIInChI=1S/C13H22N4O3.ClH/c1-8(5-14)6-15-10(18)7-17-11(19)13(2,9-3-4-9)16-12(17)20;/h8-9H,3-7,14H2,1-2H3,(H,15,18)(H,16,20);1H
InChIKeyFIQHNOOJJSTNKV-UHFFFAOYSA-N
XLogP-0.16
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119626308
N-(1-amino-2-methylpropan-2-yl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 119521788
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]acetamide
CID 30751404
N-(3-amino-2-methylpropyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 119996220
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813431
methyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate
CID 41192284
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7043073
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 128935614
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 16557047
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride
CID 119424782
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 16557391
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031584

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride (CID 119998026) is N-(3-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride is CC(CN)CNC(=O)CN1C(=O)NC(C)(C2CC2)C1=O.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
The InChIKey is FIQHNOOJJSTNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3.ClH/c1-8(5-14)6-15-10(18)7-17-11(19)13(2,9-3-4-9)16-12(17)20;/h8-9H,3-7,14H2,1-2H3,(H,15,18)(H,16,20);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
N-(3-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride has a molecular weight of 318.81 g/mol, XLogP of -0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119998026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).