N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide

C29H36N4O2 — CID 43956882

IUPACN-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCC(c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C29H36N4O2/c1-23-9-7-8-12-28(23)35-22-29(34)30-21-27(24-13-15-25(16-14-24)31(2)3)33-19-17-32(18-20-33)26-10-5-4-6-11-26/h4-16,27H,17-22H2,1-3H3,(H,30,34)
InChIKeyBONOPBCYDXSLSX-UHFFFAOYSA-N
MW472.63 g/mol
LogP4.12
Rot. Bonds9

About N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide

N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide (PubChem CID 43956882) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
PubChem CID43956882
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCC(c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C29H36N4O2/c1-23-9-7-8-12-28(23)35-22-29(34)30-21-27(24-13-15-25(16-14-24)31(2)3)33-19-17-32(18-20-33)26-10-5-4-6-11-26/h4-16,27H,17-22H2,1-3H3,(H,30,34)
InChIKeyBONOPBCYDXSLSX-UHFFFAOYSA-N
XLogP4.12
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 30509361
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 30509392
N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18564941
ethyl N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]carbamate
CID 7497445
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 7496561
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 7497385
N-benzyl-N'-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 43996755
N'-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-N-propyloxamide
CID 18583716
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-phenoxyacetamide
CID 7496663
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide
CID 7496094
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclopropanecarboxamide
CID 7497387
[2-[[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]amino]-2-oxoethyl] acetate
CID 43956984

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide (CID 43956882) is N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NCC(c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is BONOPBCYDXSLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-23-9-7-8-12-28(23)35-22-29(34)30-21-27(24-13-15-25(16-14-24)31(2)3)33-19-17-32(18-20-33)26-10-5-4-6-11-26/h4-16,27H,17-22H2,1-3H3,(H,30,34).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide?
N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 472.63 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 43956882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).