2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-(4-chlorophenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]-3-(3,5-dichlorophenyl)urea

C79H118Cl3N11O3 — CID 162200010

IUPAC2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-(4-chlorophenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]-3-(3,5-dichlorophenyl)urea
SMILESCC(C)C(C)C(CNC(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCC2)CC1.CC(C)C(C)C(CNC(=O)Nc1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1.COc1ccc(CCNCC(c2ccc(C(C)(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C31H41N3O.C24H38Cl2N4O.C24H39ClN4O/c1-31(2,3)27-14-12-26(13-15-27)30(24-32-19-18-25-10-16-29(35-4)17-11-25)34-22-20-33(21-23-34)28-8-6-5-7-9-28;1-17(2)18(3)23(16-27-24(31)28-21-14-19(25)13-20(26)15-21)30-11-9-29(10-12-30)22-7-5-4-6-8-22;1-18(2)19(3)23(17-26-24(30)27-21-11-9-20(25)10-12-21)29-15-13-28(14-16-29)22-7-5-4-6-8-22/h5-17,30,32H,18-24H2,1-4H3;13-15,17-18,22-23H,4-12,16H2,1-3H3,(H2,27,28,31);9-12,18-19,22-23H,4-8,13-17H2,1-3H3,(H2,26,27,30)
InChIKeyZRLKOSYOVHESRD-UHFFFAOYSA-N
MW1376.25 g/mol
LogP16.49
Rot. Bonds23

About 2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-(4-chlorophenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]-3-(3,5-dichlorophenyl)urea

2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-(4-chlorophenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]-3-(3,5-dichlorophenyl)urea (PubChem CID 162200010) has the molecular formula C79H118Cl3N11O3 and a molecular weight of 1376.25 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-(4-chlorophenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-(4-chlorophenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]-3-(3,5-dichlorophenyl)urea
PubChem CID162200010
Molecular FormulaC79H118Cl3N11O3
Molecular Weight1376.25 g/mol
Exact Mass1373.85
IUPAC Name2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-(4-chlorophenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]-3-(3,5-dichlorophenyl)urea
SMILESCC(C)C(C)C(CNC(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCC2)CC1.CC(C)C(C)C(CNC(=O)Nc1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1.COc1ccc(CCNCC(c2ccc(C(C)(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C31H41N3O.C24H38Cl2N4O.C24H39ClN4O/c1-31(2,3)27-14-12-26(13-15-27)30(24-32-19-18-25-10-16-29(35-4)17-11-25)34-22-20-33(21-23-34)28-8-6-5-7-9-28;1-17(2)18(3)23(16-27-24(31)28-21-14-19(25)13-20(26)15-21)30-11-9-29(10-12-30)22-7-5-4-6-8-22;1-18(2)19(3)23(17-26-24(30)27-21-11-9-20(25)10-12-21)29-15-13-28(14-16-29)22-7-5-4-6-8-22/h5-17,30,32H,18-24H2,1-4H3;13-15,17-18,22-23H,4-12,16H2,1-3H3,(H2,27,28,31);9-12,18-19,22-23H,4-8,13-17H2,1-3H3,(H2,26,27,30)
InChIKeyZRLKOSYOVHESRD-UHFFFAOYSA-N
XLogP16.49
TPSA122.96 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001376.25
LogP ≤ 516.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-(4-chlorophenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]-3-(3,5-dichlorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-Cyclohexyl-piperazin-1-yl)-2-(4-methoxy-phenyl)-ethyl]-3-(3,5-dichloro-phenyl)-urea
CID 44387847
1-[2-(4-Cyclohexyl-piperazin-1-yl)-2-(2-methoxy-phenyl)-ethyl]-3-(3,5-dichloro-phenyl)-urea
CID 44401155
US10265310, Example 4
CID 145866692
1-(4-Chlorophenyl)-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea
CID 134801212
1-(3,5-Dichlorophenyl)-3-[4-[3-(dimethylamino)propylamino]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]butyl]urea
CID 23567502
1-[(1R,2S)-2-[[(3S)-3-benzylpiperidin-1-yl]methyl]cyclohexyl]-3-(3-methanimidoylphenyl)urea;N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-phenylurea;molecular hydrogen
CID 157052635
1-[(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-cyanophenyl)urea;N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;molecular hydrogen
CID 158183810
2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(2-methoxyphenyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;1-(4-methylphenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea;molecular hydrogen
CID 158735521
1-[2-(4-Tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-4-methylpentyl]-3-(3,5-dichlorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-methoxyphenyl)urea;molecular hydrogen
CID 158953660
2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 160070004
1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(dimethylamino)phenyl]ethyl]-3-(3,5-dichlorophenyl)urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-methylhexan-2-yl]-3-(3,5-dimethylphenyl)urea
CID 161498356
1-(4-tert-butylphenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-methylhexan-2-yl]-3-(4-methylphenyl)urea
CID 161704646

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-(4-chlorophenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-(4-chlorophenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]-3-(3,5-dichlorophenyl)urea (CID 162200010) is 2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-(4-chlorophenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-(4-chlorophenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-(4-chlorophenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]-3-(3,5-dichlorophenyl)urea is CC(C)C(C)C(CNC(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCC2)CC1.CC(C)C(C)C(CNC(=O)Nc1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1.COc1ccc(CCNCC(c2ccc(C(C)(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-(4-chlorophenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]-3-(3,5-dichlorophenyl)urea?
The InChIKey is ZRLKOSYOVHESRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N3O.C24H38Cl2N4O.C24H39ClN4O/c1-31(2,3)27-14-12-26(13-15-27)30(24-32-19-18-25-10-16-29(35-4)17-11-25)34-22-20-33(21-23-34)28-8-6-5-7-9-28;1-17(2)18(3)23(16-27-24(31)28-21-14-19(25)13-20(26)15-21)30-11-9-29(10-12-30)22-7-5-4-6-8-22;1-18(2)19(3)23(17-26-24(30)27-21-11-9-20(25)10-12-21)29-15-13-28(14-16-29)22-7-5-4-6-8-22/h5-17,30,32H,18-24H2,1-4H3;13-15,17-18,22-23H,4-12,16H2,1-3H3,(H2,27,28,31);9-12,18-19,22-23H,4-8,13-17H2,1-3H3,(H2,26,27,30).
What are the key properties of 2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-(4-chlorophenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]-3-(3,5-dichlorophenyl)urea?
2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-(4-chlorophenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]-3-(3,5-dichlorophenyl)urea has a molecular weight of 1376.25 g/mol, XLogP of 16.49, 23 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-(4-chlorophenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dimethylpentyl]-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 162200010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).