N-[4-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide

C18H23N3O3 — CID 166421188

IUPACN-[4-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)N(C)CC(=O)N2CCCC2)cc1
InChIInChI=1S/C18H23N3O3/c1-3-16(22)19-15-8-6-14(7-9-15)12-17(23)20(2)13-18(24)21-10-4-5-11-21/h3,6-9H,1,4-5,10-13H2,2H3,(H,19,22)
InChIKeyITEAQCMTLWFYPH-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.43
Rot. Bonds6

About N-[4-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide

N-[4-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 166421188) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[4-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID166421188
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[4-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)N(C)CC(=O)N2CCCC2)cc1
InChIInChI=1S/C18H23N3O3/c1-3-16(22)19-15-8-6-14(7-9-15)12-17(23)20(2)13-18(24)21-10-4-5-11-21/h3,6-9H,1,4-5,10-13H2,2H3,(H,19,22)
InChIKeyITEAQCMTLWFYPH-UHFFFAOYSA-N
XLogP1.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60963104
N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]prop-2-enamide
CID 166406056
N-[4-[2-[methyl(oxan-4-ylmethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420245
N-[4-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)-methylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420233
methyl 2-[4-(prop-2-enoylamino)phenyl]acetate
CID 14209754
N-[4-[2-(dioctylamino)-2-oxoethyl]phenyl]prop-2-enamide
CID 166427310
N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420226
2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454929
N-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166422107
N-[4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 67196353
1-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]cyclopentane-1-carboxamide
CID 166421213
1-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]cyclobutane-1-carboxamide
CID 166421359

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide (CID 166421188) is N-[4-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(CC(=O)N(C)CC(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is ITEAQCMTLWFYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-16(22)19-15-8-6-14(7-9-15)12-17(23)20(2)13-18(24)21-10-4-5-11-21/h3,6-9H,1,4-5,10-13H2,2H3,(H,19,22).
What are the key properties of N-[4-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide?
N-[4-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 329.40 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166421188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).