[(E)-(4-pentoxyphenyl)methylideneamino]urea

C13H19N3O2 — CID 6909458

IUPAC[(E)-(4-pentoxyphenyl)methylideneamino]urea
SMILESCCCCCOc1ccc(/C=N/NC(N)=O)cc1
InChIInChI=1S/C13H19N3O2/c1-2-3-4-9-18-12-7-5-11(6-8-12)10-15-16-13(14)17/h5-8,10H,2-4,9H2,1H3,(H3,14,16,17)/b15-10+
InChIKeyGMFXEUWQZNTNSO-XNTDXEJSSA-N
MW249.31 g/mol
LogP2.26
Rot. Bonds7

About [(E)-(4-pentoxyphenyl)methylideneamino]urea

[(E)-(4-pentoxyphenyl)methylideneamino]urea (PubChem CID 6909458) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [(E)-(4-pentoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(4-pentoxyphenyl)methylideneamino]urea
PubChem CID6909458
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[(E)-(4-pentoxyphenyl)methylideneamino]urea
SMILESCCCCCOc1ccc(/C=N/NC(N)=O)cc1
InChIInChI=1S/C13H19N3O2/c1-2-3-4-9-18-12-7-5-11(6-8-12)10-15-16-13(14)17/h5-8,10H,2-4,9H2,1H3,(H3,14,16,17)/b15-10+
InChIKeyGMFXEUWQZNTNSO-XNTDXEJSSA-N
XLogP2.26
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze [(E)-(4-pentoxyphenyl)methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
N'-[(4-hexoxyphenyl)methylideneamino]oxamide
CID 2590490
N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 9074224
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
[(4-dodecoxyphenyl)methylideneamino]thiourea
CID 75149769
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
2-[(E)-(4-butoxyphenyl)methylideneamino]-1-[(E)-(4-pentoxyphenyl)methylideneamino]guanidine
CID 172923446
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea
CID 112538734

Frequently Asked Questions

What is the IUPAC name of [(E)-(4-pentoxyphenyl)methylideneamino]urea?
The IUPAC name of [(E)-(4-pentoxyphenyl)methylideneamino]urea (CID 6909458) is [(E)-(4-pentoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(4-pentoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(E)-(4-pentoxyphenyl)methylideneamino]urea is CCCCCOc1ccc(/C=N/NC(N)=O)cc1.
What is the InChIKey of [(E)-(4-pentoxyphenyl)methylideneamino]urea?
The InChIKey is GMFXEUWQZNTNSO-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-3-4-9-18-12-7-5-11(6-8-12)10-15-16-13(14)17/h5-8,10H,2-4,9H2,1H3,(H3,14,16,17)/b15-10+.
What are the key properties of [(E)-(4-pentoxyphenyl)methylideneamino]urea?
[(E)-(4-pentoxyphenyl)methylideneamino]urea has a molecular weight of 249.31 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-pentoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 6909458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).