[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea

C18H29N3O3 — CID 110536766

IUPAC[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
SMILESCCCCCCCCCOc1ccc(/C=N\NC(N)=O)cc1OC
InChIInChI=1S/C18H29N3O3/c1-3-4-5-6-7-8-9-12-24-16-11-10-15(13-17(16)23-2)14-20-21-18(19)22/h10-11,13-14H,3-9,12H2,1-2H3,(H3,19,21,22)/b20-14-
InChIKeyTYIYXKAMUDDWQG-ZHZULCJRSA-N
MW335.45 g/mol
LogP3.83
Rot. Bonds12

About [(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea

[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea (PubChem CID 110536766) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is [(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
PubChem CID110536766
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
SMILESCCCCCCCCCOc1ccc(/C=N\NC(N)=O)cc1OC
InChIInChI=1S/C18H29N3O3/c1-3-4-5-6-7-8-9-12-24-16-11-10-15(13-17(16)23-2)14-20-21-18(19)22/h10-11,13-14H,3-9,12H2,1-2H3,(H3,19,21,22)/b20-14-
InChIKeyTYIYXKAMUDDWQG-ZHZULCJRSA-N
XLogP3.83
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.83
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

[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812
[(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 [(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea (CID 110536766) is [(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea is CCCCCCCCCOc1ccc(/C=N\NC(N)=O)cc1OC.
What is the InChIKey of [(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea?
The InChIKey is TYIYXKAMUDDWQG-ZHZULCJRSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-3-4-5-6-7-8-9-12-24-16-11-10-15(13-17(16)23-2)14-20-21-18(19)22/h10-11,13-14H,3-9,12H2,1-2H3,(H3,19,21,22)/b20-14-.
What are the key properties of [(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea?
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea has a molecular weight of 335.45 g/mol, XLogP of 3.83, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 110536766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).