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

C19H31N3O3 — CID 110535880

IUPAC[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea
SMILESCCCCCCCCCOc1ccc(/C=N\NC(N)=O)cc1OCC
InChIInChI=1S/C19H31N3O3/c1-3-5-6-7-8-9-10-13-25-17-12-11-16(14-18(17)24-4-2)15-21-22-19(20)23/h11-12,14-15H,3-10,13H2,1-2H3,(H3,20,22,23)/b21-15-
InChIKeyTXAGHMDVTFACHR-QNGOZBTKSA-N
MW349.48 g/mol
LogP4.22
Rot. Bonds13

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

[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea (PubChem CID 110535880) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is [(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea
PubChem CID110535880
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea
SMILESCCCCCCCCCOc1ccc(/C=N\NC(N)=O)cc1OCC
InChIInChI=1S/C19H31N3O3/c1-3-5-6-7-8-9-10-13-25-17-12-11-16(14-18(17)24-4-2)15-21-22-19(20)23/h11-12,14-15H,3-10,13H2,1-2H3,(H3,20,22,23)/b21-15-
InChIKeyTXAGHMDVTFACHR-QNGOZBTKSA-N
XLogP4.22
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.22
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-ethoxy-4-pentoxyphenyl)methylideneamino]urea
CID 112538734
[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
CID 7832387
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(E)-(4-hexadecoxy-3-methoxyphenyl)methylideneamino]urea
CID 10812700
N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110509384
2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide
CID 110339969
[[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea
CID 5036954
[[4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]urea
CID 4692458
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19655720
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458

Frequently Asked Questions

What is the IUPAC name of [(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea (CID 110535880) is [(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea is CCCCCCCCCOc1ccc(/C=N\NC(N)=O)cc1OCC.
What is the InChIKey of [(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea?
The InChIKey is TXAGHMDVTFACHR-QNGOZBTKSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-3-5-6-7-8-9-10-13-25-17-12-11-16(14-18(17)24-4-2)15-21-22-19(20)23/h11-12,14-15H,3-10,13H2,1-2H3,(H3,20,22,23)/b21-15-.
What are the key properties of [(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea?
[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea has a molecular weight of 349.48 g/mol, XLogP of 4.22, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 110535880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).