1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea

C20H25N3O4 — CID 19169367

IUPAC1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea
SMILESCCCCOc1ccc(NC(=O)NN=Cc2cccc(OC)c2OC)cc1
InChIInChI=1S/C20H25N3O4/c1-4-5-13-27-17-11-9-16(10-12-17)22-20(24)23-21-14-15-7-6-8-18(25-2)19(15)26-3/h6-12,14H,4-5,13H2,1-3H3,(H2,22,23,24)
InChIKeyVAULJGQQKICRGF-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.04
Rot. Bonds9

About 1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea

1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea (PubChem CID 19169367) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea
PubChem CID19169367
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea
SMILESCCCCOc1ccc(NC(=O)NN=Cc2cccc(OC)c2OC)cc1
InChIInChI=1S/C20H25N3O4/c1-4-5-13-27-17-11-9-16(10-12-17)22-20(24)23-21-14-15-7-6-8-18(25-2)19(15)26-3/h6-12,14H,4-5,13H2,1-3H3,(H2,22,23,24)
InChIKeyVAULJGQQKICRGF-UHFFFAOYSA-N
XLogP4.04
TPSA81.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(4-chlorophenyl)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]urea
CID 110536875
N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3495029
1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea
CID 19165743
4-[[2-[(E)-[(4-ethoxyphenyl)carbamoylhydrazinylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126193597
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide
CID 51060988
1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(2,6-dimethylphenyl)urea
CID 77108051
1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea
CID 3318003
N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide
CID 3901959
2-(4-butoxyphenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766975
N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
CID 4651811
N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4981059
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 5115888

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea?
The IUPAC name of 1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea (CID 19169367) is 1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea is CCCCOc1ccc(NC(=O)NN=Cc2cccc(OC)c2OC)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea?
The InChIKey is VAULJGQQKICRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-4-5-13-27-17-11-9-16(10-12-17)22-20(24)23-21-14-15-7-6-8-18(25-2)19(15)26-3/h6-12,14H,4-5,13H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea?
1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea has a molecular weight of 371.44 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 19169367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).