N'-hydroxy-4-(4-propan-2-yloxy-3-prop-2-enylanilino)benzenecarboximidamide

C19H23N3O2 — CID 91600776

IUPACN'-hydroxy-4-(4-propan-2-yloxy-3-prop-2-enylanilino)benzenecarboximidamide
SMILESC=CCc1cc(Nc2ccc(C(N)=NO)cc2)ccc1OC(C)C
InChIInChI=1S/C19H23N3O2/c1-4-5-15-12-17(10-11-18(15)24-13(2)3)21-16-8-6-14(7-9-16)19(20)22-23/h4,6-13,21,23H,1,5H2,2-3H3,(H2,20,22)
InChIKeyXVNBLZLCSKGRGY-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.04
Rot. Bonds7

About N'-hydroxy-4-(4-propan-2-yloxy-3-prop-2-enylanilino)benzenecarboximidamide

N'-hydroxy-4-(4-propan-2-yloxy-3-prop-2-enylanilino)benzenecarboximidamide (PubChem CID 91600776) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N'-hydroxy-4-(4-propan-2-yloxy-3-prop-2-enylanilino)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-propan-2-yloxy-3-prop-2-enylanilino)benzenecarboximidamide
PubChem CID91600776
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN'-hydroxy-4-(4-propan-2-yloxy-3-prop-2-enylanilino)benzenecarboximidamide
SMILESC=CCc1cc(Nc2ccc(C(N)=NO)cc2)ccc1OC(C)C
InChIInChI=1S/C19H23N3O2/c1-4-5-15-12-17(10-11-18(15)24-13(2)3)21-16-8-6-14(7-9-16)19(20)22-23/h4,6-13,21,23H,1,5H2,2-3H3,(H2,20,22)
InChIKeyXVNBLZLCSKGRGY-UHFFFAOYSA-N
XLogP4.04
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-propan-2-yloxy-3-prop-2-enylanilino)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(4-propan-2-yloxy-3-prop-2-enylanilino)benzenecarboximidamide (CID 91600776) is N'-hydroxy-4-(4-propan-2-yloxy-3-prop-2-enylanilino)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(4-propan-2-yloxy-3-prop-2-enylanilino)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(4-propan-2-yloxy-3-prop-2-enylanilino)benzenecarboximidamide is C=CCc1cc(Nc2ccc(C(N)=NO)cc2)ccc1OC(C)C.
What is the InChIKey of N'-hydroxy-4-(4-propan-2-yloxy-3-prop-2-enylanilino)benzenecarboximidamide?
The InChIKey is XVNBLZLCSKGRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-5-15-12-17(10-11-18(15)24-13(2)3)21-16-8-6-14(7-9-16)19(20)22-23/h4,6-13,21,23H,1,5H2,2-3H3,(H2,20,22).
What are the key properties of N'-hydroxy-4-(4-propan-2-yloxy-3-prop-2-enylanilino)benzenecarboximidamide?
N'-hydroxy-4-(4-propan-2-yloxy-3-prop-2-enylanilino)benzenecarboximidamide has a molecular weight of 325.41 g/mol, XLogP of 4.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-propan-2-yloxy-3-prop-2-enylanilino)benzenecarboximidamide is sourced from PubChem (CID 91600776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).