3-[3-[furan-3-ylmethyl(methyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione

C14H21N3O3 — CID 47358544

IUPAC3-[3-[furan-3-ylmethyl(methyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCN(CCCN1C(=O)NC(C)(C)C1=O)Cc1ccoc1
InChIInChI=1S/C14H21N3O3/c1-14(2)12(18)17(13(19)15-14)7-4-6-16(3)9-11-5-8-20-10-11/h5,8,10H,4,6-7,9H2,1-3H3,(H,15,19)
InChIKeyMONPMZMWKURGHH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.43
Rot. Bonds6

About 3-[3-[furan-3-ylmethyl(methyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-[furan-3-ylmethyl(methyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 47358544) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[3-[furan-3-ylmethyl(methyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[furan-3-ylmethyl(methyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID47358544
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[3-[furan-3-ylmethyl(methyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCN(CCCN1C(=O)NC(C)(C)C1=O)Cc1ccoc1
InChIInChI=1S/C14H21N3O3/c1-14(2)12(18)17(13(19)15-14)7-4-6-16(3)9-11-5-8-20-10-11/h5,8,10H,4,6-7,9H2,1-3H3,(H,15,19)
InChIKeyMONPMZMWKURGHH-UHFFFAOYSA-N
XLogP1.43
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[furan-3-ylmethyl(methyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-[furan-3-ylmethyl(methyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 47358544) is 3-[3-[furan-3-ylmethyl(methyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[furan-3-ylmethyl(methyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[furan-3-ylmethyl(methyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione is CN(CCCN1C(=O)NC(C)(C)C1=O)Cc1ccoc1.
What is the InChIKey of 3-[3-[furan-3-ylmethyl(methyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is MONPMZMWKURGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2)12(18)17(13(19)15-14)7-4-6-16(3)9-11-5-8-20-10-11/h5,8,10H,4,6-7,9H2,1-3H3,(H,15,19).
What are the key properties of 3-[3-[furan-3-ylmethyl(methyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-[furan-3-ylmethyl(methyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 279.34 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[furan-3-ylmethyl(methyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 47358544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).