1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(2-ethoxy-5-methylphenyl)urea

C22H31N3O3 — CID 71625598

IUPAC1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(2-ethoxy-5-methylphenyl)urea
SMILESCCOc1ccc(C)cc1NC(=O)Nc1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/C22H31N3O3/c1-5-25(6-2)14-15-28-19-11-9-18(10-12-19)23-22(26)24-20-16-17(4)8-13-21(20)27-7-3/h8-13,16H,5-7,14-15H2,1-4H3,(H2,23,24,26)
InChIKeyROTNLGRRPAPXHN-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.76
Rot. Bonds10

About 1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(2-ethoxy-5-methylphenyl)urea

1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(2-ethoxy-5-methylphenyl)urea (PubChem CID 71625598) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(2-ethoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(2-ethoxy-5-methylphenyl)urea
PubChem CID71625598
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(2-ethoxy-5-methylphenyl)urea
SMILESCCOc1ccc(C)cc1NC(=O)Nc1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/C22H31N3O3/c1-5-25(6-2)14-15-28-19-11-9-18(10-12-19)23-22(26)24-20-16-17(4)8-13-21(20)27-7-3/h8-13,16H,5-7,14-15H2,1-4H3,(H2,23,24,26)
InChIKeyROTNLGRRPAPXHN-UHFFFAOYSA-N
XLogP4.76
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(2-ethoxy-5-methylphenyl)urea?
The IUPAC name of 1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(2-ethoxy-5-methylphenyl)urea (CID 71625598) is 1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(2-ethoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(2-ethoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(2-ethoxy-5-methylphenyl)urea is CCOc1ccc(C)cc1NC(=O)Nc1ccc(OCCN(CC)CC)cc1.
What is the InChIKey of 1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(2-ethoxy-5-methylphenyl)urea?
The InChIKey is ROTNLGRRPAPXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-5-25(6-2)14-15-28-19-11-9-18(10-12-19)23-22(26)24-20-16-17(4)8-13-21(20)27-7-3/h8-13,16H,5-7,14-15H2,1-4H3,(H2,23,24,26).
What are the key properties of 1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(2-ethoxy-5-methylphenyl)urea?
1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(2-ethoxy-5-methylphenyl)urea has a molecular weight of 385.51 g/mol, XLogP of 4.76, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(2-ethoxy-5-methylphenyl)urea is sourced from PubChem (CID 71625598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).