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

C17H22N4O4 — CID 2526371

IUPAC(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(furan-2-yl)prop-2-enamide
SMILESCCCCn1c(N)c(N(CC)C(=O)/C=C/c2ccco2)c(=O)[nH]c1=O
InChIInChI=1S/C17H22N4O4/c1-3-5-10-21-15(18)14(16(23)19-17(21)24)20(4-2)13(22)9-8-12-7-6-11-25-12/h6-9,11H,3-5,10,18H2,1-2H3,(H,19,23,24)/b9-8+
InChIKeyFQWOBJIQDSNIQB-CMDGGOBGSA-N
MW346.39 g/mol
LogP1.58
Rot. Bonds7

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

(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(furan-2-yl)prop-2-enamide (PubChem CID 2526371) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(furan-2-yl)prop-2-enamide
PubChem CID2526371
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(furan-2-yl)prop-2-enamide
SMILESCCCCn1c(N)c(N(CC)C(=O)/C=C/c2ccco2)c(=O)[nH]c1=O
InChIInChI=1S/C17H22N4O4/c1-3-5-10-21-15(18)14(16(23)19-17(21)24)20(4-2)13(22)9-8-12-7-6-11-25-12/h6-9,11H,3-5,10,18H2,1-2H3,(H,19,23,24)/b9-8+
InChIKeyFQWOBJIQDSNIQB-CMDGGOBGSA-N
XLogP1.58
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(furan-2-yl)prop-2-enamide (CID 2526371) is (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(furan-2-yl)prop-2-enamide is CCCCn1c(N)c(N(CC)C(=O)/C=C/c2ccco2)c(=O)[nH]c1=O.
What is the InChIKey of (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(furan-2-yl)prop-2-enamide?
The InChIKey is FQWOBJIQDSNIQB-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-3-5-10-21-15(18)14(16(23)19-17(21)24)20(4-2)13(22)9-8-12-7-6-11-25-12/h6-9,11H,3-5,10,18H2,1-2H3,(H,19,23,24)/b9-8+.
What are the key properties of (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(furan-2-yl)prop-2-enamide?
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(furan-2-yl)prop-2-enamide has a molecular weight of 346.39 g/mol, XLogP of 1.58, 7 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-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 2526371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).