(E)-N-(2-cyclopentyloxyphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide

C20H23N3O4 — CID 47068220

IUPAC(E)-N-(2-cyclopentyloxyphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
SMILESCn1cc(/C=C/C(=O)Nc2ccccc2OC2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C20H23N3O4/c1-22-13-14(19(25)23(2)20(22)26)11-12-18(24)21-16-9-5-6-10-17(16)27-15-7-3-4-8-15/h5-6,9-13,15H,3-4,7-8H2,1-2H3,(H,21,24)/b12-11+
InChIKeyKJPHMWVRLYKSCA-VAWYXSNFSA-N
MW369.42 g/mol
LogP2.06
Rot. Bonds5

About (E)-N-(2-cyclopentyloxyphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide

(E)-N-(2-cyclopentyloxyphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide (PubChem CID 47068220) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (E)-N-(2-cyclopentyloxyphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-cyclopentyloxyphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
PubChem CID47068220
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(E)-N-(2-cyclopentyloxyphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
SMILESCn1cc(/C=C/C(=O)Nc2ccccc2OC2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C20H23N3O4/c1-22-13-14(19(25)23(2)20(22)26)11-12-18(24)21-16-9-5-6-10-17(16)27-15-7-3-4-8-15/h5-6,9-13,15H,3-4,7-8H2,1-2H3,(H,21,24)/b12-11+
InChIKeyKJPHMWVRLYKSCA-VAWYXSNFSA-N
XLogP2.06
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
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-(2-cyclopentyloxyphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-cyclopentyloxyphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide (CID 47068220) is (E)-N-(2-cyclopentyloxyphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-cyclopentyloxyphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-cyclopentyloxyphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide is Cn1cc(/C=C/C(=O)Nc2ccccc2OC2CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of (E)-N-(2-cyclopentyloxyphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide?
The InChIKey is KJPHMWVRLYKSCA-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-22-13-14(19(25)23(2)20(22)26)11-12-18(24)21-16-9-5-6-10-17(16)27-15-7-3-4-8-15/h5-6,9-13,15H,3-4,7-8H2,1-2H3,(H,21,24)/b12-11+.
What are the key properties of (E)-N-(2-cyclopentyloxyphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide?
(E)-N-(2-cyclopentyloxyphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide has a molecular weight of 369.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-cyclopentyloxyphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide is sourced from PubChem (CID 47068220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).