(Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide

C18H20N2O5 — CID 98516549

IUPAC(Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide
SMILESCOc1cc(/C=C\C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)cc(OC)c1
InChIInChI=1S/C18H20N2O5/c1-24-13-7-11(8-14(9-13)25-2)3-6-17(22)20(12-4-5-12)15-10-16(21)19-18(15)23/h3,6-9,12,15H,4-5,10H2,1-2H3,(H,19,21,23)/b6-3-/t15-/m1/s1
InChIKeyLFFTZCKCIDSTIB-OMVNSRBRSA-N
MW344.37 g/mol
LogP1.12
Rot. Bonds6

About (Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide

(Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide (PubChem CID 98516549) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide
PubChem CID98516549
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide
SMILESCOc1cc(/C=C\C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)cc(OC)c1
InChIInChI=1S/C18H20N2O5/c1-24-13-7-11(8-14(9-13)25-2)3-6-17(22)20(12-4-5-12)15-10-16(21)19-18(15)23/h3,6-9,12,15H,4-5,10H2,1-2H3,(H,19,21,23)/b6-3-/t15-/m1/s1
InChIKeyLFFTZCKCIDSTIB-OMVNSRBRSA-N
XLogP1.12
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide with MolForge

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Related Compounds

N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide
CID 95306595
(E)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 52514087
(E)-3-(3,4-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethylprop-2-enamide
CID 98441288
2-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]-(oxan-4-yl)amino]acetic acid
CID 129009136
2-[[(Z)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]-(oxan-4-yl)amino]acetic acid
CID 132968436
N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-naphthalen-2-yloxyacetamide
CID 51129571
(E)-N-(cyclohexylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide
CID 55564274
2-(4-cyano-2-methoxyphenoxy)-N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 97046517
(E)-3-(3,5-dimethoxyphenyl)prop-2-enoic acid;methane
CID 134814304
(E)-3-(3,5-dimethoxyphenyl)prop-2-enoic acid;ethane
CID 142856131
cyclohexyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 52540229
(E)-3-(3,5-dimethoxyphenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide
CID 52851117

Frequently Asked Questions

What is the IUPAC name of (Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide?
The IUPAC name of (Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide (CID 98516549) is (Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide.
What is the SMILES notation for (Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide?
The canonical SMILES for (Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide is COc1cc(/C=C\C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)cc(OC)c1.
What is the InChIKey of (Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide?
The InChIKey is LFFTZCKCIDSTIB-OMVNSRBRSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-24-13-7-11(8-14(9-13)25-2)3-6-17(22)20(12-4-5-12)15-10-16(21)19-18(15)23/h3,6-9,12,15H,4-5,10H2,1-2H3,(H,19,21,23)/b6-3-/t15-/m1/s1.
What are the key properties of (Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide?
(Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide has a molecular weight of 344.37 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 98516549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).