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

C15H23N3O2 — CID 14915218

IUPAC[(E)-(4-heptoxyphenyl)methylideneamino]urea
SMILESCCCCCCCOc1ccc(/C=N/NC(N)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-2-3-4-5-6-11-20-14-9-7-13(8-10-14)12-17-18-15(16)19/h7-10,12H,2-6,11H2,1H3,(H3,16,18,19)/b17-12+
InChIKeyPNILTPFTFWUXOS-SFQUDFHCSA-N
MW277.37 g/mol
LogP3.04
Rot. Bonds9

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

[(E)-(4-heptoxyphenyl)methylideneamino]urea (PubChem CID 14915218) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [(E)-(4-heptoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(4-heptoxyphenyl)methylideneamino]urea
PubChem CID14915218
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[(E)-(4-heptoxyphenyl)methylideneamino]urea
SMILESCCCCCCCOc1ccc(/C=N/NC(N)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-2-3-4-5-6-11-20-14-9-7-13(8-10-14)12-17-18-15(16)19/h7-10,12H,2-6,11H2,1H3,(H3,16,18,19)/b17-12+
InChIKeyPNILTPFTFWUXOS-SFQUDFHCSA-N
XLogP3.04
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.04
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'}

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Related Compounds

[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
N'-[(4-hexoxyphenyl)methylideneamino]oxamide
CID 2590490
[(4-dodecoxyphenyl)methylideneamino]thiourea
CID 75149769
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 9074224
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
2-[(E)-(4-butoxyphenyl)methylideneamino]-1-[(E)-(4-pentoxyphenyl)methylideneamino]guanidine
CID 172923446
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110535880

Frequently Asked Questions

What is the IUPAC name of [(E)-(4-heptoxyphenyl)methylideneamino]urea?
The IUPAC name of [(E)-(4-heptoxyphenyl)methylideneamino]urea (CID 14915218) is [(E)-(4-heptoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(4-heptoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(E)-(4-heptoxyphenyl)methylideneamino]urea is CCCCCCCOc1ccc(/C=N/NC(N)=O)cc1.
What is the InChIKey of [(E)-(4-heptoxyphenyl)methylideneamino]urea?
The InChIKey is PNILTPFTFWUXOS-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-3-4-5-6-11-20-14-9-7-13(8-10-14)12-17-18-15(16)19/h7-10,12H,2-6,11H2,1H3,(H3,16,18,19)/b17-12+.
What are the key properties of [(E)-(4-heptoxyphenyl)methylideneamino]urea?
[(E)-(4-heptoxyphenyl)methylideneamino]urea has a molecular weight of 277.37 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-heptoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 14915218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).