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

C17H21N3O5 — CID 39967419

IUPAC(2S)-2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)N1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C17H21N3O5/c1-4-18-14(21)10(2)20-15(22)17(3,19-16(20)23)8-11-5-6-12-13(7-11)25-9-24-12/h5-7,10H,4,8-9H2,1-3H3,(H,18,21)(H,19,23)/t10-,17+/m0/s1
InChIKeyJNPAXBYCNCXXID-DYZYQPBXSA-N
MW347.37 g/mol
LogP0.79
Rot. Bonds5

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

(2S)-2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylpropanamide (PubChem CID 39967419) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is (2S)-2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylpropanamide
PubChem CID39967419
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name(2S)-2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)N1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C17H21N3O5/c1-4-18-14(21)10(2)20-15(22)17(3,19-16(20)23)8-11-5-6-12-13(7-11)25-9-24-12/h5-7,10H,4,8-9H2,1-3H3,(H,18,21)(H,19,23)/t10-,17+/m0/s1
InChIKeyJNPAXBYCNCXXID-DYZYQPBXSA-N
XLogP0.79
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 50.79
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-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 8660053
(2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide
CID 41088027
3-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 31577649
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 36658926
(5R)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]imidazolidine-2,4-dione
CID 8659528
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]propanamide
CID 25443735
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]propanamide
CID 25443733
butyl 2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8659819
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 8659323
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958888
(5R)-5-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 40834546
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 8659391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylpropanamide?
The IUPAC name of (2S)-2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylpropanamide (CID 39967419) is (2S)-2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylpropanamide?
The canonical SMILES for (2S)-2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylpropanamide is CCNC(=O)[C@H](C)N1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of (2S)-2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylpropanamide?
The InChIKey is JNPAXBYCNCXXID-DYZYQPBXSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-4-18-14(21)10(2)20-15(22)17(3,19-16(20)23)8-11-5-6-12-13(7-11)25-9-24-12/h5-7,10H,4,8-9H2,1-3H3,(H,18,21)(H,19,23)/t10-,17+/m0/s1.
What are the key properties of (2S)-2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylpropanamide?
(2S)-2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylpropanamide has a molecular weight of 347.37 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 39967419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).