2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-prop-2-enylacetamide

C15H19N3O4 — CID 50969436

IUPAC2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccco1)C(=O)CC1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C15H19N3O4/c1-4-7-18(10-11-6-5-8-22-11)13(19)9-12-14(20)17(3)15(21)16(12)2/h4-6,8,12H,1,7,9-10H2,2-3H3
InChIKeyKTOBLIOZEIRMCL-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.08
Rot. Bonds6

About 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-prop-2-enylacetamide

2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-prop-2-enylacetamide (PubChem CID 50969436) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-prop-2-enylacetamide
PubChem CID50969436
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccco1)C(=O)CC1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C15H19N3O4/c1-4-7-18(10-11-6-5-8-22-11)13(19)9-12-14(20)17(3)15(21)16(12)2/h4-6,8,12H,1,7,9-10H2,2-3H3
InChIKeyKTOBLIOZEIRMCL-UHFFFAOYSA-N
XLogP1.08
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylacetamide
CID 50948449
1-(furan-2-ylmethyl)-1-prop-2-enylthiourea
CID 172640364
N,1-bis(furan-2-ylmethyl)-N-prop-2-enylpiperidine-4-carboxamide
CID 50974230
N-(furan-2-ylmethyl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-prop-2-enylacetamide
CID 50966307
N-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide
CID 50967845
2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 95148402
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 95148404
N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide
CID 5121435
N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 50956140
N-benzyl-N-(furan-2-ylmethyl)-2-[(2-phenylsulfanylacetyl)-prop-2-enylamino]acetamide
CID 3634552
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42768102
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide
CID 4611642

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-prop-2-enylacetamide (CID 50969436) is 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-prop-2-enylacetamide is C=CCN(Cc1ccco1)C(=O)CC1C(=O)N(C)C(=O)N1C.
What is the InChIKey of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-prop-2-enylacetamide?
The InChIKey is KTOBLIOZEIRMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-4-7-18(10-11-6-5-8-22-11)13(19)9-12-14(20)17(3)15(21)16(12)2/h4-6,8,12H,1,7,9-10H2,2-3H3.
What are the key properties of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-prop-2-enylacetamide?
2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-prop-2-enylacetamide has a molecular weight of 305.33 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 50969436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).