N-[2-[2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide

C18H21N3O4 — CID 166420107

IUPACN-[2-[2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)NC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C18H21N3O4/c1-4-15(22)19-13-8-6-5-7-12(13)9-16(23)20-14-10-17(24)21(11(2)3)18(14)25/h4-8,11,14H,1,9-10H2,2-3H3,(H,19,22)(H,20,23)
InChIKeySKEYHTYWFWEQRH-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.01
Rot. Bonds6

About N-[2-[2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide

N-[2-[2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 166420107) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[2-[2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID166420107
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[2-[2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)NC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C18H21N3O4/c1-4-15(22)19-13-8-6-5-7-12(13)9-16(23)20-14-10-17(24)21(11(2)3)18(14)25/h4-8,11,14H,1,9-10H2,2-3H3,(H,19,22)(H,20,23)
InChIKeySKEYHTYWFWEQRH-UHFFFAOYSA-N
XLogP1.01
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide (CID 166420107) is N-[2-[2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1CC(=O)NC1CC(=O)N(C(C)C)C1=O.
What is the InChIKey of N-[2-[2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is SKEYHTYWFWEQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-4-15(22)19-13-8-6-5-7-12(13)9-16(23)20-14-10-17(24)21(11(2)3)18(14)25/h4-8,11,14H,1,9-10H2,2-3H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide?
N-[2-[2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 343.38 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166420107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).