1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea

C19H25N3O2 — CID 57263501

IUPAC1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea
SMILESCCN(CCc1ccccc1)CCN(C(N)=O)c1ccc(O)cc1
InChIInChI=1S/C19H25N3O2/c1-2-21(13-12-16-6-4-3-5-7-16)14-15-22(19(20)24)17-8-10-18(23)11-9-17/h3-11,23H,2,12-15H2,1H3,(H2,20,24)
InChIKeyKGWLGBBLVXPDJC-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.84
Rot. Bonds8

About 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea

1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea (PubChem CID 57263501) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea
PubChem CID57263501
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea
SMILESCCN(CCc1ccccc1)CCN(C(N)=O)c1ccc(O)cc1
InChIInChI=1S/C19H25N3O2/c1-2-21(13-12-16-6-4-3-5-7-16)14-15-22(19(20)24)17-8-10-18(23)11-9-17/h3-11,23H,2,12-15H2,1H3,(H2,20,24)
InChIKeyKGWLGBBLVXPDJC-UHFFFAOYSA-N
XLogP2.84
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea?
The IUPAC name of 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea (CID 57263501) is 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea.
What is the SMILES notation for 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea?
The canonical SMILES for 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea is CCN(CCc1ccccc1)CCN(C(N)=O)c1ccc(O)cc1.
What is the InChIKey of 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea?
The InChIKey is KGWLGBBLVXPDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-21(13-12-16-6-4-3-5-7-16)14-15-22(19(20)24)17-8-10-18(23)11-9-17/h3-11,23H,2,12-15H2,1H3,(H2,20,24).
What are the key properties of 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea?
1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea has a molecular weight of 327.43 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea is sourced from PubChem (CID 57263501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).