6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide

C23H28N2O6 — CID 24963120

IUPAC6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
SMILESCOc1cc(/C=C(\C(=O)NCCCCCC(=O)NO)c2ccc(O)cc2)cc(OC)c1
InChIInChI=1S/C23H28N2O6/c1-30-19-12-16(13-20(15-19)31-2)14-21(17-7-9-18(26)10-8-17)23(28)24-11-5-3-4-6-22(27)25-29/h7-10,12-15,26,29H,3-6,11H2,1-2H3,(H,24,28)(H,25,27)/b21-14-
InChIKeyTYMYMNUBLNWXOS-STZFKDTASA-N
MW428.49 g/mol
LogP3.13
Rot. Bonds11

About 6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide

6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide (PubChem CID 24963120) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is 6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
PubChem CID24963120
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Name6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
SMILESCOc1cc(/C=C(\C(=O)NCCCCCC(=O)NO)c2ccc(O)cc2)cc(OC)c1
InChIInChI=1S/C23H28N2O6/c1-30-19-12-16(13-20(15-19)31-2)14-21(17-7-9-18(26)10-8-17)23(28)24-11-5-3-4-6-22(27)25-29/h7-10,12-15,26,29H,3-6,11H2,1-2H3,(H,24,28)(H,25,27)/b21-14-
InChIKeyTYMYMNUBLNWXOS-STZFKDTASA-N
XLogP3.13
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
The IUPAC name of 6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide (CID 24963120) is 6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
The canonical SMILES for 6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide is COc1cc(/C=C(\C(=O)NCCCCCC(=O)NO)c2ccc(O)cc2)cc(OC)c1.
What is the InChIKey of 6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
The InChIKey is TYMYMNUBLNWXOS-STZFKDTASA-N. The full InChI is InChI=1S/C23H28N2O6/c1-30-19-12-16(13-20(15-19)31-2)14-21(17-7-9-18(26)10-8-17)23(28)24-11-5-3-4-6-22(27)25-29/h7-10,12-15,26,29H,3-6,11H2,1-2H3,(H,24,28)(H,25,27)/b21-14-.
What are the key properties of 6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide has a molecular weight of 428.49 g/mol, XLogP of 3.13, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide is sourced from PubChem (CID 24963120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).