(E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide

C20H26N2O2 — CID 46200169

IUPAC(E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCC23CC4CC(CC2C4)C3)cc1)NO
InChIInChI=1S/C20H26N2O2/c23-19(22-24)6-5-14-1-3-15(4-2-14)12-21-13-20-10-16-7-17(11-20)9-18(20)8-16/h1-6,16-18,21,24H,7-13H2,(H,22,23)/b6-5+
InChIKeyZZYZMWFSFLYJQU-AATRIKPKSA-N
MW326.44 g/mol
LogP3.12
Rot. Bonds6

About (E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide (PubChem CID 46200169) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide
PubChem CID46200169
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCC23CC4CC(CC2C4)C3)cc1)NO
InChIInChI=1S/C20H26N2O2/c23-19(22-24)6-5-14-1-3-15(4-2-14)12-21-13-20-10-16-7-17(11-20)9-18(20)8-16/h1-6,16-18,21,24H,7-13H2,(H,22,23)/b6-5+
InChIKeyZZYZMWFSFLYJQU-AATRIKPKSA-N
XLogP3.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 (E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide (CID 46200169) is (E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(CNCC23CC4CC(CC2C4)C3)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide?
The InChIKey is ZZYZMWFSFLYJQU-AATRIKPKSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19(22-24)6-5-14-1-3-15(4-2-14)12-21-13-20-10-16-7-17(11-20)9-18(20)8-16/h1-6,16-18,21,24H,7-13H2,(H,22,23)/b6-5+.
What are the key properties of (E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide has a molecular weight of 326.44 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 46200169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).