[(Z)-(4-propoxyphenyl)methylideneamino]urea

C11H15N3O2 — CID 9017412

IUPAC[(Z)-(4-propoxyphenyl)methylideneamino]urea
SMILESCCCOc1ccc(/C=N\NC(N)=O)cc1
InChIInChI=1S/C11H15N3O2/c1-2-7-16-10-5-3-9(4-6-10)8-13-14-11(12)15/h3-6,8H,2,7H2,1H3,(H3,12,14,15)/b13-8-
InChIKeyHQLSREVFTLRABU-JYRVWZFOSA-N
MW221.26 g/mol
LogP1.48
Rot. Bonds5

About [(Z)-(4-propoxyphenyl)methylideneamino]urea

[(Z)-(4-propoxyphenyl)methylideneamino]urea (PubChem CID 9017412) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is [(Z)-(4-propoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(4-propoxyphenyl)methylideneamino]urea
PubChem CID9017412
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name[(Z)-(4-propoxyphenyl)methylideneamino]urea
SMILESCCCOc1ccc(/C=N\NC(N)=O)cc1
InChIInChI=1S/C11H15N3O2/c1-2-7-16-10-5-3-9(4-6-10)8-13-14-11(12)15/h3-6,8H,2,7H2,1H3,(H3,12,14,15)/b13-8-
InChIKeyHQLSREVFTLRABU-JYRVWZFOSA-N
XLogP1.48
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
[(E)-(4-propoxyphenyl)methylideneamino]thiourea
CID 6881283
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
[(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea
CID 7681958
2-(4-methoxyphenoxy)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 9315962
N'-[(4-hexoxyphenyl)methylideneamino]oxamide
CID 2590490
N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988898
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918

Frequently Asked Questions

What is the IUPAC name of [(Z)-(4-propoxyphenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(4-propoxyphenyl)methylideneamino]urea (CID 9017412) is [(Z)-(4-propoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(4-propoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(4-propoxyphenyl)methylideneamino]urea is CCCOc1ccc(/C=N\NC(N)=O)cc1.
What is the InChIKey of [(Z)-(4-propoxyphenyl)methylideneamino]urea?
The InChIKey is HQLSREVFTLRABU-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-7-16-10-5-3-9(4-6-10)8-13-14-11(12)15/h3-6,8H,2,7H2,1H3,(H3,12,14,15)/b13-8-.
What are the key properties of [(Z)-(4-propoxyphenyl)methylideneamino]urea?
[(Z)-(4-propoxyphenyl)methylideneamino]urea has a molecular weight of 221.26 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-propoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 9017412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).