2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

C22H27N3O2 — CID 29463689

IUPAC2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESCCc1ccccc1NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C22H27N3O2/c1-2-18-7-3-4-8-20(18)23-16-21(26)24-15-17-9-11-19(12-10-17)22(27)25-13-5-6-14-25/h3-4,7-12,23H,2,5-6,13-16H2,1H3,(H,24,26)
InChIKeyQIMUKZIETRLHON-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.21
Rot. Bonds7

About 2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 29463689) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID29463689
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESCCc1ccccc1NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C22H27N3O2/c1-2-18-7-3-4-8-20(18)23-16-21(26)24-15-17-9-11-19(12-10-17)22(27)25-13-5-6-14-25/h3-4,7-12,23H,2,5-6,13-16H2,1H3,(H,24,26)
InChIKeyQIMUKZIETRLHON-UHFFFAOYSA-N
XLogP3.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-3-nitroanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29459287
2-(2-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159675
2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 55898307
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 60536259
[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 84558036
2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 18153736
2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide
CID 18153747
2-(4-acetylpiperazin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 32808855
N-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide
CID 32976847
2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29463616
N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54835242
3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 32854703

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (CID 29463689) is 2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is CCc1ccccc1NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is QIMUKZIETRLHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-18-7-3-4-8-20(18)23-16-21(26)24-15-17-9-11-19(12-10-17)22(27)25-13-5-6-14-25/h3-4,7-12,23H,2,5-6,13-16H2,1H3,(H,24,26).
What are the key properties of 2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 29463689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).