1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea

C22H29N3O2 — CID 112983603

IUPAC1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea
SMILESCOc1cccc(CCNc2ccc(NC(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C22H29N3O2/c1-27-21-9-5-6-17(16-21)14-15-23-18-10-12-20(13-11-18)25-22(26)24-19-7-3-2-4-8-19/h5-6,9-13,16,19,23H,2-4,7-8,14-15H2,1H3,(H2,24,25,26)
InChIKeySQEHLWCXASNVSJ-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.80
Rot. Bonds7

About 1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea

1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea (PubChem CID 112983603) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea
PubChem CID112983603
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea
SMILESCOc1cccc(CCNc2ccc(NC(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C22H29N3O2/c1-27-21-9-5-6-17(16-21)14-15-23-18-10-12-20(13-11-18)25-22(26)24-19-7-3-2-4-8-19/h5-6,9-13,16,19,23H,2-4,7-8,14-15H2,1H3,(H2,24,25,26)
InChIKeySQEHLWCXASNVSJ-UHFFFAOYSA-N
XLogP4.80
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea (CID 112983603) is 1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea is COc1cccc(CCNc2ccc(NC(=O)NC3CCCCC3)cc2)c1.
What is the InChIKey of 1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea?
The InChIKey is SQEHLWCXASNVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-27-21-9-5-6-17(16-21)14-15-23-18-10-12-20(13-11-18)25-22(26)24-19-7-3-2-4-8-19/h5-6,9-13,16,19,23H,2-4,7-8,14-15H2,1H3,(H2,24,25,26).
What are the key properties of 1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea?
1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea has a molecular weight of 367.49 g/mol, XLogP of 4.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea is sourced from PubChem (CID 112983603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).