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

C22H30N4O2 — CID 1295362

IUPAC1-(2,3-dimethylphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]urea
SMILESCOc1ccccc1N1CCN(CCNC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C22H30N4O2/c1-17-7-6-8-19(18(17)2)24-22(27)23-11-12-25-13-15-26(16-14-25)20-9-4-5-10-21(20)28-3/h4-10H,11-16H2,1-3H3,(H2,23,24,27)
InChIKeyPZMVHWBTAAZMTQ-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.26
Rot. Bonds6

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

1-(2,3-dimethylphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]urea (PubChem CID 1295362) 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-(2-methoxyphenyl)piperazin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]urea
PubChem CID1295362
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-(2,3-dimethylphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]urea
SMILESCOc1ccccc1N1CCN(CCNC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C22H30N4O2/c1-17-7-6-8-19(18(17)2)24-22(27)23-11-12-25-13-15-26(16-14-25)20-9-4-5-10-21(20)28-3/h4-10H,11-16H2,1-3H3,(H2,23,24,27)
InChIKeyPZMVHWBTAAZMTQ-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]urea (CID 1295362) is 1-(2,3-dimethylphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]urea is COc1ccccc1N1CCN(CCNC(=O)Nc2cccc(C)c2C)CC1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]urea?
The InChIKey is PZMVHWBTAAZMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17-7-6-8-19(18(17)2)24-22(27)23-11-12-25-13-15-26(16-14-25)20-9-4-5-10-21(20)28-3/h4-10H,11-16H2,1-3H3,(H2,23,24,27).
What are the key properties of 1-(2,3-dimethylphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]urea?
1-(2,3-dimethylphenyl)-3-[2-[4-(2-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-(2-methoxyphenyl)piperazin-1-yl]ethyl]urea is sourced from PubChem (CID 1295362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).