[(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea

C16H17N3O3 — CID 135699730

IUPAC[(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea
SMILESNC(=O)N/N=C(\CCc1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C16H17N3O3/c17-16(22)19-18-14(9-6-11-4-2-1-3-5-11)13-8-7-12(20)10-15(13)21/h1-5,7-8,10,20-21H,6,9H2,(H3,17,19,22)/b18-14+
InChIKeyALCNZFMETMAZCT-NBVRZTHBSA-N
MW299.33 g/mol
LogP2.10
Rot. Bonds5

About [(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea

[(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea (PubChem CID 135699730) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is [(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea
PubChem CID135699730
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name[(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea
SMILESNC(=O)N/N=C(\CCc1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C16H17N3O3/c17-16(22)19-18-14(9-6-11-4-2-1-3-5-11)13-8-7-12(20)10-15(13)21/h1-5,7-8,10,20-21H,6,9H2,(H3,17,19,22)/b18-14+
InChIKeyALCNZFMETMAZCT-NBVRZTHBSA-N
XLogP2.10
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide
CID 135730522
2,4-dihydroxy-N-(2-phenylethyl)benzamide
CID 103600168
[(E)-5-phenylpentan-2-ylideneamino]urea
CID 121008889
N-[1-(2,4-dihydroxyphenyl)butylideneamino]-1-phenylmethanesulfonamide
CID 4572549
N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide
CID 135576103
2-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]phenol;hydrate
CID 137291939
4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid
CID 131861254
(6-phenylhexan-3-ylideneamino)urea
CID 2750652
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 143033643
1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one
CID 42607666
[[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]thiourea
CID 3958079
(3R)-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-1,1-dioxothiolane-3-carboxamide
CID 135817879

Frequently Asked Questions

What is the IUPAC name of [(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea?
The IUPAC name of [(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea (CID 135699730) is [(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea.
What is the SMILES notation for [(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea?
The canonical SMILES for [(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea is NC(=O)N/N=C(\CCc1ccccc1)c1ccc(O)cc1O.
What is the InChIKey of [(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea?
The InChIKey is ALCNZFMETMAZCT-NBVRZTHBSA-N. The full InChI is InChI=1S/C16H17N3O3/c17-16(22)19-18-14(9-6-11-4-2-1-3-5-11)13-8-7-12(20)10-15(13)21/h1-5,7-8,10,20-21H,6,9H2,(H3,17,19,22)/b18-14+.
What are the key properties of [(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea?
[(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea has a molecular weight of 299.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea is sourced from PubChem (CID 135699730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).