(2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide

C24H32N4O2 — CID 8773224

IUPAC(2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCCc1ccccc1NC(=O)CN1CCN([C@@H](C)C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C24H32N4O2/c1-3-21-11-7-8-12-22(21)26-23(29)18-27-13-15-28(16-14-27)19(2)24(30)25-17-20-9-5-4-6-10-20/h4-12,19H,3,13-18H2,1-2H3,(H,25,30)(H,26,29)/t19-/m0/s1
InChIKeyRXNZLDCIRCQPQD-IBGZPJMESA-N
MW408.55 g/mol
LogP2.51
Rot. Bonds8

About (2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide

(2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 8773224) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID8773224
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name(2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCCc1ccccc1NC(=O)CN1CCN([C@@H](C)C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C24H32N4O2/c1-3-21-11-7-8-12-22(21)26-23(29)18-27-13-15-28(16-14-27)19(2)24(30)25-17-20-9-5-4-6-10-20/h4-12,19H,3,13-18H2,1-2H3,(H,25,30)(H,26,29)/t19-/m0/s1
InChIKeyRXNZLDCIRCQPQD-IBGZPJMESA-N
XLogP2.51
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 9434357
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78815800
(2S)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 8795096
(2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 30637178
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55431745
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9436562
N-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55432044
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110877703
2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 11943830
N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 51624224
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide (CID 8773224) is (2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide is CCc1ccccc1NC(=O)CN1CCN([C@@H](C)C(=O)NCc2ccccc2)CC1.
What is the InChIKey of (2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is RXNZLDCIRCQPQD-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32N4O2/c1-3-21-11-7-8-12-22(21)26-23(29)18-27-13-15-28(16-14-27)19(2)24(30)25-17-20-9-5-4-6-10-20/h4-12,19H,3,13-18H2,1-2H3,(H,25,30)(H,26,29)/t19-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
(2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 408.55 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 8773224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).