[(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea

C14H21N3O3 — CID 7681958

IUPAC[(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea
SMILESCCCOc1ccc(/C=N\NC(N)=O)c(OCCC)c1
InChIInChI=1S/C14H21N3O3/c1-3-7-19-12-6-5-11(10-16-17-14(15)18)13(9-12)20-8-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H3,15,17,18)/b16-10-
InChIKeyOSCSUBAVXLMZGN-YBEGLDIGSA-N
MW279.34 g/mol
LogP2.27
Rot. Bonds8

About [(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea

[(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea (PubChem CID 7681958) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is [(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea
PubChem CID7681958
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name[(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea
SMILESCCCOc1ccc(/C=N\NC(N)=O)c(OCCC)c1
InChIInChI=1S/C14H21N3O3/c1-3-7-19-12-6-5-11(10-16-17-14(15)18)13(9-12)20-8-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H3,15,17,18)/b16-10-
InChIKeyOSCSUBAVXLMZGN-YBEGLDIGSA-N
XLogP2.27
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
[(5-bromo-2-butoxyphenyl)methylideneamino]urea
CID 57360203
N-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 6181869
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea
CID 110540127
[[2-[3-(4-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]urea
CID 3572601
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(2,4-dipropoxyphenyl)methylideneamino]acetamide
CID 4115730
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
[(Z)-[5-bromo-2-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]urea
CID 5347891
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
(Z)-2-cyano-3-(2,4-dipropoxyphenyl)prop-2-enamide
CID 2364639

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea (CID 7681958) is [(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea is CCCOc1ccc(/C=N\NC(N)=O)c(OCCC)c1.
What is the InChIKey of [(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea?
The InChIKey is OSCSUBAVXLMZGN-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-7-19-12-6-5-11(10-16-17-14(15)18)13(9-12)20-8-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H3,15,17,18)/b16-10-.
What are the key properties of [(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea?
[(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea has a molecular weight of 279.34 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 7681958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).