[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylideneamino]urea

C14H19N3O2 — CID 168532903

IUPAC[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylideneamino]urea
SMILESC=CCc1cc(C=NNC(N)=O)ccc1OC(C)C
InChIInChI=1S/C14H19N3O2/c1-4-5-12-8-11(9-16-17-14(15)18)6-7-13(12)19-10(2)3/h4,6-10H,1,5H2,2-3H3,(H3,15,17,18)
InChIKeyFBFUHNSEHKBMDZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.20
Rot. Bonds6

About [(4-propan-2-yloxy-3-prop-2-enylphenyl)methylideneamino]urea

[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylideneamino]urea (PubChem CID 168532903) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [(4-propan-2-yloxy-3-prop-2-enylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylideneamino]urea
PubChem CID168532903
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylideneamino]urea
SMILESC=CCc1cc(C=NNC(N)=O)ccc1OC(C)C
InChIInChI=1S/C14H19N3O2/c1-4-5-12-8-11(9-16-17-14(15)18)6-7-13(12)19-10(2)3/h4,6-10H,1,5H2,2-3H3,(H3,15,17,18)
InChIKeyFBFUHNSEHKBMDZ-UHFFFAOYSA-N
XLogP2.20
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-[2-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624089
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
[(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea
CID 168532862
[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]urea
CID 71670057
[[3-methyl-4-(3-methylbutoxy)phenyl]methylideneamino]urea
CID 168531957
[(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]thiourea
CID 168535236
[(3-methyl-4-propan-2-yloxyphenyl)methylideneamino]thiourea
CID 168534379
[[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea
CID 168532425
[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea
CID 9017274
2-(4-hydroxyphenyl)-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 110515650
propan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate
CID 168533376
[[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]urea
CID 2588719

Frequently Asked Questions

What is the IUPAC name of [(4-propan-2-yloxy-3-prop-2-enylphenyl)methylideneamino]urea?
The IUPAC name of [(4-propan-2-yloxy-3-prop-2-enylphenyl)methylideneamino]urea (CID 168532903) is [(4-propan-2-yloxy-3-prop-2-enylphenyl)methylideneamino]urea.
What is the SMILES notation for [(4-propan-2-yloxy-3-prop-2-enylphenyl)methylideneamino]urea?
The canonical SMILES for [(4-propan-2-yloxy-3-prop-2-enylphenyl)methylideneamino]urea is C=CCc1cc(C=NNC(N)=O)ccc1OC(C)C.
What is the InChIKey of [(4-propan-2-yloxy-3-prop-2-enylphenyl)methylideneamino]urea?
The InChIKey is FBFUHNSEHKBMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-5-12-8-11(9-16-17-14(15)18)6-7-13(12)19-10(2)3/h4,6-10H,1,5H2,2-3H3,(H3,15,17,18).
What are the key properties of [(4-propan-2-yloxy-3-prop-2-enylphenyl)methylideneamino]urea?
[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylideneamino]urea has a molecular weight of 261.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-propan-2-yloxy-3-prop-2-enylphenyl)methylideneamino]urea is sourced from PubChem (CID 168532903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).