(2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide

C17H19N3O5 — CID 41088027

IUPAC(2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide
SMILESC[C@@H](C(=O)NC1CC1)N1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C17H19N3O5/c1-9(14(21)18-11-4-5-11)20-15(22)17(2,19-16(20)23)10-3-6-12-13(7-10)25-8-24-12/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,18,21)(H,19,23)/t9-,17-/m0/s1
InChIKeyFUOMBDHXYDMQBQ-XYZCENFISA-N
MW345.36 g/mol
LogP0.85
Rot. Bonds4

About (2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide

(2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide (PubChem CID 41088027) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is (2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide
PubChem CID41088027
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name(2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide
SMILESC[C@@H](C(=O)NC1CC1)N1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C17H19N3O5/c1-9(14(21)18-11-4-5-11)20-15(22)17(2,19-16(20)23)10-3-6-12-13(7-10)25-8-24-12/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,18,21)(H,19,23)/t9-,17-/m0/s1
InChIKeyFUOMBDHXYDMQBQ-XYZCENFISA-N
XLogP0.85
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.85
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

(2R)-N-cyclopentyl-2-[(4S)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 9449768
(2S)-N-cyclopropyl-2-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 9451598
(2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 9451600
(2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 9449775
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
CID 40931197
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
CID 7691971
(2S)-2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylpropanamide
CID 39967419
2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 17441791
N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7484104
5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 17396815
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 40931059
(5S)-5-(1,3-benzodioxol-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 7359238

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of (2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide (CID 41088027) is (2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for (2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for (2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide is C[C@@H](C(=O)NC1CC1)N1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of (2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is FUOMBDHXYDMQBQ-XYZCENFISA-N. The full InChI is InChI=1S/C17H19N3O5/c1-9(14(21)18-11-4-5-11)20-15(22)17(2,19-16(20)23)10-3-6-12-13(7-10)25-8-24-12/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,18,21)(H,19,23)/t9-,17-/m0/s1.
What are the key properties of (2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide?
(2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 345.36 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 41088027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).