N-benzyl-3-(2,4-dioxoimidazolidin-1-yl)propanamide;hydrate

C13H17N3O4 — CID 141332707

IUPACN-benzyl-3-(2,4-dioxoimidazolidin-1-yl)propanamide;hydrate
SMILESO.O=C(CCN1CC(=O)NC1=O)NCc1ccccc1
InChIInChI=1S/C13H15N3O3.H2O/c17-11(14-8-10-4-2-1-3-5-10)6-7-16-9-12(18)15-13(16)19;/h1-5H,6-9H2,(H,14,17)(H,15,18,19);1H2
InChIKeyWQTNNPZGSPSYCK-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.58
Rot. Bonds5

About N-benzyl-3-(2,4-dioxoimidazolidin-1-yl)propanamide;hydrate

N-benzyl-3-(2,4-dioxoimidazolidin-1-yl)propanamide;hydrate (PubChem CID 141332707) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-benzyl-3-(2,4-dioxoimidazolidin-1-yl)propanamide;hydrate.

Molecular Properties

Compound NameN-benzyl-3-(2,4-dioxoimidazolidin-1-yl)propanamide;hydrate
PubChem CID141332707
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC NameN-benzyl-3-(2,4-dioxoimidazolidin-1-yl)propanamide;hydrate
SMILESO.O=C(CCN1CC(=O)NC1=O)NCc1ccccc1
InChIInChI=1S/C13H15N3O3.H2O/c17-11(14-8-10-4-2-1-3-5-10)6-7-16-9-12(18)15-13(16)19;/h1-5H,6-9H2,(H,14,17)(H,15,18,19);1H2
InChIKeyWQTNNPZGSPSYCK-UHFFFAOYSA-N
XLogP-0.58
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-benzyl-3-chloropropanamide
CID 10391
N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839
3-(azetidin-1-yl)-N-benzylpropanamide;difluoromethane;propane
CID 156875577
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N'-benzylbutanediamide
CID 4682951
N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide
CID 50844325
5-(benzylamino)-2-methyl-5-oxopentanoic acid
CID 112515547
N-benzyl-3-[(1R,2S,6S,7S,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]propanamide
CID 98285428
(3S)-3-[3-(benzylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxylate
CID 6921371
N-benzyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
CID 6624459

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2,4-dioxoimidazolidin-1-yl)propanamide;hydrate?
The IUPAC name of N-benzyl-3-(2,4-dioxoimidazolidin-1-yl)propanamide;hydrate (CID 141332707) is N-benzyl-3-(2,4-dioxoimidazolidin-1-yl)propanamide;hydrate.
What is the SMILES notation for N-benzyl-3-(2,4-dioxoimidazolidin-1-yl)propanamide;hydrate?
The canonical SMILES for N-benzyl-3-(2,4-dioxoimidazolidin-1-yl)propanamide;hydrate is O.O=C(CCN1CC(=O)NC1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(2,4-dioxoimidazolidin-1-yl)propanamide;hydrate?
The InChIKey is WQTNNPZGSPSYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3.H2O/c17-11(14-8-10-4-2-1-3-5-10)6-7-16-9-12(18)15-13(16)19;/h1-5H,6-9H2,(H,14,17)(H,15,18,19);1H2.
What are the key properties of N-benzyl-3-(2,4-dioxoimidazolidin-1-yl)propanamide;hydrate?
N-benzyl-3-(2,4-dioxoimidazolidin-1-yl)propanamide;hydrate has a molecular weight of 279.30 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2,4-dioxoimidazolidin-1-yl)propanamide;hydrate is sourced from PubChem (CID 141332707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).