2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C19H28N4O3 — CID 86826316

IUPAC2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCCN(Cc1ccccc1NCC(=O)NCC(=O)N1CCCC1)C(C)=O
InChIInChI=1S/C19H28N4O3/c1-3-22(15(2)24)14-16-8-4-5-9-17(16)20-12-18(25)21-13-19(26)23-10-6-7-11-23/h4-5,8-9,20H,3,6-7,10-14H2,1-2H3,(H,21,25)
InChIKeyRJVMLPGYULIXCT-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.21
Rot. Bonds8

About 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 86826316) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID86826316
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCCN(Cc1ccccc1NCC(=O)NCC(=O)N1CCCC1)C(C)=O
InChIInChI=1S/C19H28N4O3/c1-3-22(15(2)24)14-16-8-4-5-9-17(16)20-12-18(25)21-13-19(26)23-10-6-7-11-23/h4-5,8-9,20H,3,6-7,10-14H2,1-2H3,(H,21,25)
InChIKeyRJVMLPGYULIXCT-UHFFFAOYSA-N
XLogP1.21
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide
CID 86983777
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 36856140
N-tert-butyl-2-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide
CID 47077618
1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone
CID 108996156
2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49278693
N-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide
CID 86983782
2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29463689
N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113161360
2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 112990865
2-(2-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712323
2-(2-tert-butylanilino)-1-piperidin-1-ylethanone
CID 60685891
2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28583393

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 86826316) is 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is CCN(Cc1ccccc1NCC(=O)NCC(=O)N1CCCC1)C(C)=O.
What is the InChIKey of 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is RJVMLPGYULIXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-3-22(15(2)24)14-16-8-4-5-9-17(16)20-12-18(25)21-13-19(26)23-10-6-7-11-23/h4-5,8-9,20H,3,6-7,10-14H2,1-2H3,(H,21,25).
What are the key properties of 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 360.46 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 86826316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).