N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide

C30H36N4O2 — CID 51624224

IUPACN-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C30H36N4O2/c1-3-24-9-7-8-12-28(24)32-30(36)22-34-19-17-33(18-20-34)21-29(35)31-23(2)25-13-15-27(16-14-25)26-10-5-4-6-11-26/h4-16,23H,3,17-22H2,1-2H3,(H,31,35)(H,32,36)/t23-/m1/s1
InChIKeyJUFSJAOTNWMPQP-HSZRJFAPSA-N
MW484.64 g/mol
LogP4.35
Rot. Bonds9

About N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide (PubChem CID 51624224) has the molecular formula C30H36N4O2 and a molecular weight of 484.64 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
PubChem CID51624224
Molecular FormulaC30H36N4O2
Molecular Weight484.64 g/mol
Exact Mass484.28
IUPAC NameN-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C30H36N4O2/c1-3-24-9-7-8-12-28(24)32-30(36)22-34-19-17-33(18-20-34)21-29(35)31-23(2)25-13-15-27(16-14-25)26-10-5-4-6-11-26/h4-16,23H,3,17-22H2,1-2H3,(H,31,35)(H,32,36)/t23-/m1/s1
InChIKeyJUFSJAOTNWMPQP-HSZRJFAPSA-N
XLogP4.35
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide with MolForge

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Related Compounds

N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30627238
2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40813283
N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30653763
N-butyl-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30653757
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide
CID 9022351
(2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8773224
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833508
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55431745
N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30722668
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 9435748
(2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 9046791

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide (CID 51624224) is N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide?
The InChIKey is JUFSJAOTNWMPQP-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H36N4O2/c1-3-24-9-7-8-12-28(24)32-30(36)22-34-19-17-33(18-20-34)21-29(35)31-23(2)25-13-15-27(16-14-25)26-10-5-4-6-11-26/h4-16,23H,3,17-22H2,1-2H3,(H,31,35)(H,32,36)/t23-/m1/s1.
What are the key properties of N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide has a molecular weight of 484.64 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 51624224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).