1-[1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]-3-[(3-hydroxyphenyl)methyl]urea

C18H21N3O4 — CID 164885339

IUPAC1-[1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]-3-[(3-hydroxyphenyl)methyl]urea
SMILESCCC(=NNC(=O)NCc1cccc(O)c1)c1ccc(O)c(C)c1O
InChIInChI=1S/C18H21N3O4/c1-3-15(14-7-8-16(23)11(2)17(14)24)20-21-18(25)19-10-12-5-4-6-13(22)9-12/h4-9,22-24H,3,10H2,1-2H3,(H2,19,21,25)
InChIKeyFBCPIOAXERAOIA-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.73
Rot. Bonds5

About 1-[1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]-3-[(3-hydroxyphenyl)methyl]urea

1-[1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]-3-[(3-hydroxyphenyl)methyl]urea (PubChem CID 164885339) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-[1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]-3-[(3-hydroxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]-3-[(3-hydroxyphenyl)methyl]urea
PubChem CID164885339
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-[1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]-3-[(3-hydroxyphenyl)methyl]urea
SMILESCCC(=NNC(=O)NCc1cccc(O)c1)c1ccc(O)c(C)c1O
InChIInChI=1S/C18H21N3O4/c1-3-15(14-7-8-16(23)11(2)17(14)24)20-21-18(25)19-10-12-5-4-6-13(22)9-12/h4-9,22-24H,3,10H2,1-2H3,(H2,19,21,25)
InChIKeyFBCPIOAXERAOIA-UHFFFAOYSA-N
XLogP2.73
TPSA114.18 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

1-benzyl-3-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]urea
CID 146622142
1-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]-3-[6-[[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]carbamoylamino]hexyl]urea
CID 146622623
2-anilino-N-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]propanamide
CID 146622152
N-[(3-hydroxyphenyl)methyl]-2,4-dimethylbenzamide
CID 47292289
1-(3,4-dihydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]urea
CID 71045044
1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea
CID 146084416
1-benzyl-3-(propan-2-ylideneamino)urea
CID 2747682
N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide
CID 103769243
N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 78962026
2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide
CID 79795606
2-hydroxy-N-[(3-hydroxyphenyl)methyl]-4-methoxybenzamide
CID 47292166
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]-3-[(3-hydroxyphenyl)methyl]urea?
The IUPAC name of 1-[1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]-3-[(3-hydroxyphenyl)methyl]urea (CID 164885339) is 1-[1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]-3-[(3-hydroxyphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]-3-[(3-hydroxyphenyl)methyl]urea?
The canonical SMILES for 1-[1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]-3-[(3-hydroxyphenyl)methyl]urea is CCC(=NNC(=O)NCc1cccc(O)c1)c1ccc(O)c(C)c1O.
What is the InChIKey of 1-[1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]-3-[(3-hydroxyphenyl)methyl]urea?
The InChIKey is FBCPIOAXERAOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-3-15(14-7-8-16(23)11(2)17(14)24)20-21-18(25)19-10-12-5-4-6-13(22)9-12/h4-9,22-24H,3,10H2,1-2H3,(H2,19,21,25).
What are the key properties of 1-[1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]-3-[(3-hydroxyphenyl)methyl]urea?
1-[1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]-3-[(3-hydroxyphenyl)methyl]urea has a molecular weight of 343.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]-3-[(3-hydroxyphenyl)methyl]urea is sourced from PubChem (CID 164885339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).