1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea

C19H23N3O3 — CID 19165743

IUPAC1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea
SMILESCCCCOc1ccc(NC(=O)NN=Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H23N3O3/c1-3-4-13-25-18-11-7-16(8-12-18)21-19(23)22-20-14-15-5-9-17(24-2)10-6-15/h5-12,14H,3-4,13H2,1-2H3,(H2,21,22,23)
InChIKeyKASWAHDVGQOBFV-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.03
Rot. Bonds8

About 1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea

1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea (PubChem CID 19165743) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea
PubChem CID19165743
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea
SMILESCCCCOc1ccc(NC(=O)NN=Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H23N3O3/c1-3-4-13-25-18-11-7-16(8-12-18)21-19(23)22-20-14-15-5-9-17(24-2)10-6-15/h5-12,14H,3-4,13H2,1-2H3,(H2,21,22,23)
InChIKeyKASWAHDVGQOBFV-UHFFFAOYSA-N
XLogP4.03
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-[(Z)-(4-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8900317
1-(benzylideneamino)-3-(4-methoxyphenyl)urea
CID 154302769
N-(4-butoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 135821329
2-(4-methoxyphenoxy)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 9315962
1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea
CID 19169367
1-(4-butoxyphenyl)-3-[(4-chloro-3-nitrophenyl)methylideneamino]urea
CID 19169360
N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 9074224
1-(4-butoxyphenyl)-3-[(E)-1H-pyrrol-2-ylmethylideneamino]urea
CID 135770473
1-(3-chlorophenyl)-3-[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 110537001
1-[(E)-[4-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea
CID 45146203
N-(4-butoxyphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 8900859
N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 3986274

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea?
The IUPAC name of 1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea (CID 19165743) is 1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea is CCCCOc1ccc(NC(=O)NN=Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea?
The InChIKey is KASWAHDVGQOBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-4-13-25-18-11-7-16(8-12-18)21-19(23)22-20-14-15-5-9-17(24-2)10-6-15/h5-12,14H,3-4,13H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea?
1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea has a molecular weight of 341.41 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 19165743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).