(E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide

C22H24N4O4 — CID 2463206

IUPAC(E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide
SMILESCCCCN(C(=O)/C=C/c1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H24N4O4/c1-2-3-13-25(18(27)12-11-17-10-7-14-30-17)19-20(23)26(22(29)24-21(19)28)15-16-8-5-4-6-9-16/h4-12,14H,2-3,13,15,23H2,1H3,(H,24,28,29)/b12-11+
InChIKeyVWFGLAQIRULMBP-VAWYXSNFSA-N
MW408.46 g/mol
LogP2.61
Rot. Bonds8

About (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide

(E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide (PubChem CID 2463206) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide
PubChem CID2463206
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name(E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide
SMILESCCCCN(C(=O)/C=C/c1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H24N4O4/c1-2-3-13-25(18(27)12-11-17-10-7-14-30-17)19-20(23)26(22(29)24-21(19)28)15-16-8-5-4-6-9-16/h4-12,14H,2-3,13,15,23H2,1H3,(H,24,28,29)/b12-11+
InChIKeyVWFGLAQIRULMBP-VAWYXSNFSA-N
XLogP2.61
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-{2-Furan-2-yl-1-[(furan-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5755140
N-[2-Furan-2-yl-1-(pyrrolidine-1-carbonyl)-vinyl]-benzamide
CID 5765235
N-[2-Furan-2-yl-1-(4-methyl-piperazine-1-carbonyl)-vinyl]-benzamide
CID 5765237
N-[2-Furan-2-yl-1-(4-methyl-piperidine-1-carbonyl)-vinyl]-benzamide
CID 5344059
N-[2-(5-methyl-2-furyl)-1-({[2-(4-morpholinyl)ethyl]amino}carbonyl)vinyl]benzamide
CID 5292081
1-(2-Benzoylamino-3-furan-2-yl-acryloyl)-piperidine-4-carboxylic acid amide
CID 5765231
N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 738317
(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 2579466
(5Z)-1-[(4-fluorophenyl)methyl]-5-(furan-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 5414770
N-[2-Furan-2-yl-1-(4-methyl-piperidine-1-carbonyl)-vinyl]-4-methyl-benzamide
CID 5437799
2-Acetylamino-N-benzyl-3-(5-methyl-furan-2-yl)-acrylamide
CID 5771217
(Z)-N-(1-(furan-2-yl)-3-oxo-3-(pyrrolidin-1-yl)prop-1-en-2-yl)-3-methylbenzamide
CID 7392097

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide (CID 2463206) is (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide is CCCCN(C(=O)/C=C/c1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide?
The InChIKey is VWFGLAQIRULMBP-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-2-3-13-25(18(27)12-11-17-10-7-14-30-17)19-20(23)26(22(29)24-21(19)28)15-16-8-5-4-6-9-16/h4-12,14H,2-3,13,15,23H2,1H3,(H,24,28,29)/b12-11+.
What are the key properties of (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide?
(E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide has a molecular weight of 408.46 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 2463206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).