1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea

C16H19N3O2 — CID 43744418

IUPAC1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NC(C)c2cccc(O)c2)cc1
InChIInChI=1S/C16H19N3O2/c1-11(12-4-3-5-15(20)10-12)18-13-6-8-14(9-7-13)19-16(21)17-2/h3-11,18,20H,1-2H3,(H2,17,19,21)
InChIKeyYKJJHFJXYVMBLZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.32
Rot. Bonds4

About 1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea

1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea (PubChem CID 43744418) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea
PubChem CID43744418
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NC(C)c2cccc(O)c2)cc1
InChIInChI=1S/C16H19N3O2/c1-11(12-4-3-5-15(20)10-12)18-13-6-8-14(9-7-13)19-16(21)17-2/h3-11,18,20H,1-2H3,(H2,17,19,21)
InChIKeyYKJJHFJXYVMBLZ-UHFFFAOYSA-N
XLogP3.32
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide
CID 43714113
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CID 64793713
3-[1-(4-butylanilino)ethyl]phenol
CID 43110475
N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
CID 43109245
3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol
CID 104775910
3-[1-(4-methyl-3-nitroanilino)ethyl]phenol
CID 43718388
N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide
CID 43680770
1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene
CID 43742050
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)ethyl]phenol
CID 43193625
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
3-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597330

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea (CID 43744418) is 1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea is CNC(=O)Nc1ccc(NC(C)c2cccc(O)c2)cc1.
What is the InChIKey of 1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea?
The InChIKey is YKJJHFJXYVMBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(12-4-3-5-15(20)10-12)18-13-6-8-14(9-7-13)19-16(21)17-2/h3-11,18,20H,1-2H3,(H2,17,19,21).
What are the key properties of 1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea?
1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea has a molecular weight of 285.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea is sourced from PubChem (CID 43744418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).