(E)-N-hydroxy-3-[4-[1-methoxy-2-(4-phenylmethoxyphenyl)ethyl]phenyl]prop-2-enamide

C25H25NO4 — CID 10408871

IUPAC(E)-N-hydroxy-3-[4-[1-methoxy-2-(4-phenylmethoxyphenyl)ethyl]phenyl]prop-2-enamide
SMILESCOC(Cc1ccc(OCc2ccccc2)cc1)c1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C25H25NO4/c1-29-24(22-12-7-19(8-13-22)11-16-25(27)26-28)17-20-9-14-23(15-10-20)30-18-21-5-3-2-4-6-21/h2-16,24,28H,17-18H2,1H3,(H,26,27)/b16-11+
InChIKeyQVBKNSLDVAHHFG-LFIBNONCSA-N
MW403.48 g/mol
LogP4.71
Rot. Bonds9

About (E)-N-hydroxy-3-[4-[1-methoxy-2-(4-phenylmethoxyphenyl)ethyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[1-methoxy-2-(4-phenylmethoxyphenyl)ethyl]phenyl]prop-2-enamide (PubChem CID 10408871) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[1-methoxy-2-(4-phenylmethoxyphenyl)ethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[1-methoxy-2-(4-phenylmethoxyphenyl)ethyl]phenyl]prop-2-enamide
PubChem CID10408871
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name(E)-N-hydroxy-3-[4-[1-methoxy-2-(4-phenylmethoxyphenyl)ethyl]phenyl]prop-2-enamide
SMILESCOC(Cc1ccc(OCc2ccccc2)cc1)c1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C25H25NO4/c1-29-24(22-12-7-19(8-13-22)11-16-25(27)26-28)17-20-9-14-23(15-10-20)30-18-21-5-3-2-4-6-21/h2-16,24,28H,17-18H2,1H3,(H,26,27)/b16-11+
InChIKeyQVBKNSLDVAHHFG-LFIBNONCSA-N
XLogP4.71
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591323
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 22831284
(E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide
CID 127217554
4-phenylmethoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 6234109
N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591319
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427
(E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide
CID 9227515
2-[3-[4-(4-chlorophenyl)phenyl]prop-2-enoylamino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 73173014
methyl (2S)-2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 68667164
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[1-methoxy-2-(4-phenylmethoxyphenyl)ethyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[1-methoxy-2-(4-phenylmethoxyphenyl)ethyl]phenyl]prop-2-enamide (CID 10408871) is (E)-N-hydroxy-3-[4-[1-methoxy-2-(4-phenylmethoxyphenyl)ethyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[1-methoxy-2-(4-phenylmethoxyphenyl)ethyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[1-methoxy-2-(4-phenylmethoxyphenyl)ethyl]phenyl]prop-2-enamide is COC(Cc1ccc(OCc2ccccc2)cc1)c1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[4-[1-methoxy-2-(4-phenylmethoxyphenyl)ethyl]phenyl]prop-2-enamide?
The InChIKey is QVBKNSLDVAHHFG-LFIBNONCSA-N. The full InChI is InChI=1S/C25H25NO4/c1-29-24(22-12-7-19(8-13-22)11-16-25(27)26-28)17-20-9-14-23(15-10-20)30-18-21-5-3-2-4-6-21/h2-16,24,28H,17-18H2,1H3,(H,26,27)/b16-11+.
What are the key properties of (E)-N-hydroxy-3-[4-[1-methoxy-2-(4-phenylmethoxyphenyl)ethyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[1-methoxy-2-(4-phenylmethoxyphenyl)ethyl]phenyl]prop-2-enamide has a molecular weight of 403.48 g/mol, XLogP of 4.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[1-methoxy-2-(4-phenylmethoxyphenyl)ethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 10408871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).