1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea

C22H30N4O2 — CID 22430377

IUPAC1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea
SMILESCOc1ccc(N2CCN(CCNC(=O)Nc3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-17-5-4-6-21(18(17)2)24-22(27)23-11-12-25-13-15-26(16-14-25)19-7-9-20(28-3)10-8-19/h4-10H,11-16H2,1-3H3,(H2,23,24,27)
InChIKeyPLLPGCRTOWFFNJ-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.26
Rot. Bonds6

About 1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea

1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea (PubChem CID 22430377) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea
PubChem CID22430377
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea
SMILESCOc1ccc(N2CCN(CCNC(=O)Nc3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-17-5-4-6-21(18(17)2)24-22(27)23-11-12-25-13-15-26(16-14-25)19-7-9-20(28-3)10-8-19/h4-10H,11-16H2,1-3H3,(H2,23,24,27)
InChIKeyPLLPGCRTOWFFNJ-UHFFFAOYSA-N
XLogP3.26
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide
CID 42269066
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N'-(2-methylphenyl)oxamide
CID 42390414
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 42268559
N'-(3-chloro-4-methylphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268579
2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide
CID 31568257
1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 22430341
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 29344500
1-(2-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]urea
CID 38272106
1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 15989534
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266407
N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033747
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea (CID 22430377) is 1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea is COc1ccc(N2CCN(CCNC(=O)Nc3cccc(C)c3C)CC2)cc1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea?
The InChIKey is PLLPGCRTOWFFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17-5-4-6-21(18(17)2)24-22(27)23-11-12-25-13-15-26(16-14-25)19-7-9-20(28-3)10-8-19/h4-10H,11-16H2,1-3H3,(H2,23,24,27).
What are the key properties of 1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea?
1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea has a molecular weight of 382.51 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea is sourced from PubChem (CID 22430377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).