2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride

C16H27ClN4O3 — CID 119530186

IUPAC2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCCCN(C(=O)CN1C(=O)NC(C)(C2CC2)C1=O)C1CCNC1.Cl
InChIInChI=1S/C16H26N4O3.ClH/c1-3-8-19(12-6-7-17-9-12)13(21)10-20-14(22)16(2,11-4-5-11)18-15(20)23;/h11-12,17H,3-10H2,1-2H3,(H,18,23);1H
InChIKeyPCJDQJCALUPVMW-UHFFFAOYSA-N
MW358.87 g/mol
LogP0.73
Rot. Bonds6

About 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119530186) has the molecular formula C16H27ClN4O3 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119530186
Molecular FormulaC16H27ClN4O3
Molecular Weight358.87 g/mol
Exact Mass358.18
IUPAC Name2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCCCN(C(=O)CN1C(=O)NC(C)(C2CC2)C1=O)C1CCNC1.Cl
InChIInChI=1S/C16H26N4O3.ClH/c1-3-8-19(12-6-7-17-9-12)13(21)10-20-14(22)16(2,11-4-5-11)18-15(20)23;/h11-12,17H,3-10H2,1-2H3,(H,18,23);1H
InChIKeyPCJDQJCALUPVMW-UHFFFAOYSA-N
XLogP0.73
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide
CID 26011358
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532166
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-piperidin-4-yl-N-propylacetamide
CID 119824077
2-(2,4-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530519
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119532161
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride
CID 119424782
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532672
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 124613840
2-(2-oxopyrrolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60806352
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119826446
2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119531180
N'-propyl-N'-pyrrolidin-3-ylpropanediamide
CID 119533204

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119530186) is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride is CCCN(C(=O)CN1C(=O)NC(C)(C2CC2)C1=O)C1CCNC1.Cl.
What is the InChIKey of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is PCJDQJCALUPVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3.ClH/c1-3-8-19(12-6-7-17-9-12)13(21)10-20-14(22)16(2,11-4-5-11)18-15(20)23;/h11-12,17H,3-10H2,1-2H3,(H,18,23);1H.
What are the key properties of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119530186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).