(2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide

C25H34N4O2 — CID 25360218

IUPAC(2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C25H34N4O2/c1-5-21-10-6-7-12-23(21)26-24(30)18-27(4)25(31)20(3)28-13-15-29(16-14-28)22-11-8-9-19(2)17-22/h6-12,17,20H,5,13-16,18H2,1-4H3,(H,26,30)/t20-/m1/s1
InChIKeySAOZPVPRQGDMSV-HXUWFJFHSA-N
MW422.57 g/mol
LogP3.17
Rot. Bonds7

About (2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide

(2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide (PubChem CID 25360218) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is (2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
PubChem CID25360218
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name(2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C25H34N4O2/c1-5-21-10-6-7-12-23(21)26-24(30)18-27(4)25(31)20(3)28-13-15-29(16-14-28)22-11-8-9-19(2)17-22/h6-12,17,20H,5,13-16,18H2,1-4H3,(H,26,30)/t20-/m1/s1
InChIKeySAOZPVPRQGDMSV-HXUWFJFHSA-N
XLogP3.17
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950439
(2S)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 95345101
1-[(2S)-1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 42542888
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]propanamide
CID 78825915
N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 46662860
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpropanamide
CID 86843186
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8529946
2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 20993320
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 17494408
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 17484909
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55431745
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 8688394

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide (CID 25360218) is (2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide is CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of (2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The InChIKey is SAOZPVPRQGDMSV-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-5-21-10-6-7-12-23(21)26-24(30)18-27(4)25(31)20(3)28-13-15-29(16-14-28)22-11-8-9-19(2)17-22/h6-12,17,20H,5,13-16,18H2,1-4H3,(H,26,30)/t20-/m1/s1.
What are the key properties of (2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
(2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide has a molecular weight of 422.57 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 25360218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).