N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide

C19H26N2O2 — CID 71889158

IUPACN-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
SMILESCc1cc(C)c(C=CC(=O)N(C)CC(=O)N2CCCC2)cc1C
InChIInChI=1S/C19H26N2O2/c1-14-11-16(3)17(12-15(14)2)7-8-18(22)20(4)13-19(23)21-9-5-6-10-21/h7-8,11-12H,5-6,9-10,13H2,1-4H3
InChIKeyKDUJQKWUGUQAFN-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.71
Rot. Bonds4

About N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide

N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide (PubChem CID 71889158) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
PubChem CID71889158
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
SMILESCc1cc(C)c(C=CC(=O)N(C)CC(=O)N2CCCC2)cc1C
InChIInChI=1S/C19H26N2O2/c1-14-11-16(3)17(12-15(14)2)7-8-18(22)20(4)13-19(23)21-9-5-6-10-21/h7-8,11-12H,5-6,9-10,13H2,1-4H3
InChIKeyKDUJQKWUGUQAFN-UHFFFAOYSA-N
XLogP2.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 115343343
(E)-N-methyl-N-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 13057060
2-hydroxy-N,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 47140666
1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone
CID 110769594
2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 107722529
ethyl (3S)-1-[2-[methyl-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]acetyl]piperidine-3-carboxylate
CID 52536494
3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 115574206
(E)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)but-2-enamide
CID 61017890
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
(E)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2,4,5-trimethylphenyl)prop-2-en-1-one
CID 111561443
N,2,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 53195179
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]prop-2-enamide
CID 9488301

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide?
The IUPAC name of N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide (CID 71889158) is N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide is Cc1cc(C)c(C=CC(=O)N(C)CC(=O)N2CCCC2)cc1C.
What is the InChIKey of N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide?
The InChIKey is KDUJQKWUGUQAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-11-16(3)17(12-15(14)2)7-8-18(22)20(4)13-19(23)21-9-5-6-10-21/h7-8,11-12H,5-6,9-10,13H2,1-4H3.
What are the key properties of N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide?
N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide has a molecular weight of 314.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide is sourced from PubChem (CID 71889158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).