1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea

C20H23N3O3 — CID 3885276

IUPAC1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea
SMILESC=CCc1cc(C=NNC(=O)Nc2ccccc2C)cc(OCC)c1O
InChIInChI=1S/C20H23N3O3/c1-4-8-16-11-15(12-18(19(16)24)26-5-2)13-21-23-20(25)22-17-10-7-6-9-14(17)3/h4,6-7,9-13,24H,1,5,8H2,2-3H3,(H2,22,23,25)
InChIKeyYHJLSNFUXHZSFG-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.98
Rot. Bonds7

About 1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea

1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea (PubChem CID 3885276) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea
PubChem CID3885276
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea
SMILESC=CCc1cc(C=NNC(=O)Nc2ccccc2C)cc(OCC)c1O
InChIInChI=1S/C20H23N3O3/c1-4-8-16-11-15(12-18(19(16)24)26-5-2)13-21-23-20(25)22-17-10-7-6-9-14(17)3/h4,6-7,9-13,24H,1,5,8H2,2-3H3,(H2,22,23,25)
InChIKeyYHJLSNFUXHZSFG-UHFFFAOYSA-N
XLogP3.98
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 136781953
N'-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-N-(2-fluorophenyl)butanediamide
CID 4675458
2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol
CID 137162256
N-[(Z)-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 136744825
1-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 4590748
N-[1-[2-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3385169
N'-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 3994693
ethyl N-[(1R)-3-[(2Z)-2-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylpropyl]carbamate
CID 137121246
N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide
CID 137173872
1-[[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5092049
N-[(E)-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 137072052
N-butyl-N'-[(E)-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]oxamide
CID 135840035

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea (CID 3885276) is 1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea is C=CCc1cc(C=NNC(=O)Nc2ccccc2C)cc(OCC)c1O.
What is the InChIKey of 1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea?
The InChIKey is YHJLSNFUXHZSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-8-16-11-15(12-18(19(16)24)26-5-2)13-21-23-20(25)22-17-10-7-6-9-14(17)3/h4,6-7,9-13,24H,1,5,8H2,2-3H3,(H2,22,23,25).
What are the key properties of 1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea?
1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea has a molecular weight of 353.42 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea is sourced from PubChem (CID 3885276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).