[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea

C15H23N3O3 — CID 84903812

IUPAC[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
SMILESCCCCCCOc1ccc(C=NNC(N)=O)cc1OC
InChIInChI=1S/C15H23N3O3/c1-3-4-5-6-9-21-13-8-7-12(10-14(13)20-2)11-17-18-15(16)19/h7-8,10-11H,3-6,9H2,1-2H3,(H3,16,18,19)
InChIKeyAYQUNFHUXLTYAZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.66
Rot. Bonds9

About [(4-hexoxy-3-methoxyphenyl)methylideneamino]urea

[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea (PubChem CID 84903812) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [(4-hexoxy-3-methoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
PubChem CID84903812
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
SMILESCCCCCCOc1ccc(C=NNC(N)=O)cc1OC
InChIInChI=1S/C15H23N3O3/c1-3-4-5-6-9-21-13-8-7-12(10-14(13)20-2)11-17-18-15(16)19/h7-8,10-11H,3-6,9H2,1-2H3,(H3,16,18,19)
InChIKeyAYQUNFHUXLTYAZ-UHFFFAOYSA-N
XLogP2.66
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.66
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

[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(E)-(4-hexadecoxy-3-methoxyphenyl)methylideneamino]urea
CID 10812700
[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110535880
[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea
CID 112538734
[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
CID 7832387
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
methyl N-[(Z)-(4-butoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 9075566
[[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]urea
CID 2588719
1-[(4-hexoxy-3-methoxyphenyl)methylideneamino]-3-methylthiourea
CID 4159491
N-[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515387
4-butyl-N-[(E)-(3-methoxy-4-octoxyphenyl)methylideneamino]benzamide
CID 124551504
1-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-methylthiourea
CID 6003195

Frequently Asked Questions

What is the IUPAC name of [(4-hexoxy-3-methoxyphenyl)methylideneamino]urea?
The IUPAC name of [(4-hexoxy-3-methoxyphenyl)methylideneamino]urea (CID 84903812) is [(4-hexoxy-3-methoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(4-hexoxy-3-methoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(4-hexoxy-3-methoxyphenyl)methylideneamino]urea is CCCCCCOc1ccc(C=NNC(N)=O)cc1OC.
What is the InChIKey of [(4-hexoxy-3-methoxyphenyl)methylideneamino]urea?
The InChIKey is AYQUNFHUXLTYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-4-5-6-9-21-13-8-7-12(10-14(13)20-2)11-17-18-15(16)19/h7-8,10-11H,3-6,9H2,1-2H3,(H3,16,18,19).
What are the key properties of [(4-hexoxy-3-methoxyphenyl)methylideneamino]urea?
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea has a molecular weight of 293.37 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-hexoxy-3-methoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 84903812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).