2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide

C19H23N3O5 — CID 51594980

IUPAC2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide
SMILESCCCc1cc2c(cc1NC(=O)CN1C(=O)N[C@@](C)(C3CC3)C1=O)OCO2
InChIInChI=1S/C19H23N3O5/c1-3-4-11-7-14-15(27-10-26-14)8-13(11)20-16(23)9-22-17(24)19(2,12-5-6-12)21-18(22)25/h7-8,12H,3-6,9-10H2,1-2H3,(H,20,23)(H,21,25)/t19-/m0/s1
InChIKeyFNXBHEMWCBRFLL-IBGZPJMESA-N
MW373.41 g/mol
LogP2.03
Rot. Bonds6

About 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide

2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide (PubChem CID 51594980) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide
PubChem CID51594980
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide
SMILESCCCc1cc2c(cc1NC(=O)CN1C(=O)N[C@@](C)(C3CC3)C1=O)OCO2
InChIInChI=1S/C19H23N3O5/c1-3-4-11-7-14-15(27-10-26-14)8-13(11)20-16(23)9-22-17(24)19(2,12-5-6-12)21-18(22)25/h7-8,12H,3-6,9-10H2,1-2H3,(H,20,23)(H,21,25)/t19-/m0/s1
InChIKeyFNXBHEMWCBRFLL-IBGZPJMESA-N
XLogP2.03
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119438955
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8023947
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 18117869
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7043089
N-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119618318
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-iodophenyl)acetamide
CID 16557019
N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8572834
N-(2-benzylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16556819
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 16557391
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 2577868
N-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8760806
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7240816

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide (CID 51594980) is 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide is CCCc1cc2c(cc1NC(=O)CN1C(=O)N[C@@](C)(C3CC3)C1=O)OCO2.
What is the InChIKey of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide?
The InChIKey is FNXBHEMWCBRFLL-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N3O5/c1-3-4-11-7-14-15(27-10-26-14)8-13(11)20-16(23)9-22-17(24)19(2,12-5-6-12)21-18(22)25/h7-8,12H,3-6,9-10H2,1-2H3,(H,20,23)(H,21,25)/t19-/m0/s1.
What are the key properties of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide?
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide has a molecular weight of 373.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 51594980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).