1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea

C19H23N3O4 — CID 110508753

IUPAC1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea
SMILESCCCOc1c(OC)cc(/C=N/NC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C19H23N3O4/c1-4-10-26-18-16(24-2)11-14(12-17(18)25-3)13-20-22-19(23)21-15-8-6-5-7-9-15/h5-9,11-13H,4,10H2,1-3H3,(H2,21,22,23)/b20-13+
InChIKeyGSKJCWCICRZWCU-DEDYPNTBSA-N
MW357.41 g/mol
LogP3.65
Rot. Bonds8

About 1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea

1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea (PubChem CID 110508753) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea
PubChem CID110508753
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea
SMILESCCCOc1c(OC)cc(/C=N/NC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C19H23N3O4/c1-4-10-26-18-16(24-2)11-14(12-17(18)25-3)13-20-22-19(23)21-15-8-6-5-7-9-15/h5-9,11-13H,4,10H2,1-3H3,(H2,21,22,23)/b20-13+
InChIKeyGSKJCWCICRZWCU-DEDYPNTBSA-N
XLogP3.65
TPSA81.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 8861765
1-[(E)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea
CID 110508825
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 110507170
1-[(E)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-phenylurea
CID 110508812
1-(4-chlorophenyl)-3-[(Z)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]urea
CID 110532065
1-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-phenylurea
CID 96883969
[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea
CID 110539433
1-(4-chlorophenyl)-3-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]urea
CID 110535001
1-[(Z)-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-phenylurea
CID 9243043
1-[(Z)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-(3-chlorophenyl)urea
CID 110531249
4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 110514915
1-[(E)-(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylideneamino]-3-phenylurea
CID 110508811

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea?
The IUPAC name of 1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea (CID 110508753) is 1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea is CCCOc1c(OC)cc(/C=N/NC(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of 1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea?
The InChIKey is GSKJCWCICRZWCU-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-10-26-18-16(24-2)11-14(12-17(18)25-3)13-20-22-19(23)21-15-8-6-5-7-9-15/h5-9,11-13H,4,10H2,1-3H3,(H2,21,22,23)/b20-13+.
What are the key properties of 1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea?
1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea has a molecular weight of 357.41 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea is sourced from PubChem (CID 110508753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).