N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C24H29N3O3 — CID 56515351

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C24H29N3O3/c1-3-18-11-7-8-14-20(18)25-21(28)17-26(2)24(30)23(19-12-5-4-6-13-19)27-16-10-9-15-22(27)29/h4-8,11-14,23H,3,9-10,15-17H2,1-2H3,(H,25,28)
InChIKeyTVNCEVDWWZJQPE-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.40
Rot. Bonds7

About N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56515351) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56515351
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C24H29N3O3/c1-3-18-11-7-8-14-20(18)25-21(28)17-26(2)24(30)23(19-12-5-4-6-13-19)27-16-10-9-15-22(27)29/h4-8,11-14,23H,3,9-10,15-17H2,1-2H3,(H,25,28)
InChIKeyTVNCEVDWWZJQPE-UHFFFAOYSA-N
XLogP3.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 119654619
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577703
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 8894535
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56538470
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9378702
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide
CID 24573425
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]propanamide
CID 78825915
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515688
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
1-[(2S)-1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 42542888
(2S)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 95345101
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505818

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56515351) is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is CCc1ccccc1NC(=O)CN(C)C(=O)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is TVNCEVDWWZJQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-3-18-11-7-8-14-20(18)25-21(28)17-26(2)24(30)23(19-12-5-4-6-13-19)27-16-10-9-15-22(27)29/h4-8,11-14,23H,3,9-10,15-17H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 407.51 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56515351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).