(Z)-N-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-phenylmethoxyphenyl]prop-2-enamide

C22H25NO4 — CID 46932635

IUPAC(Z)-N-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-phenylmethoxyphenyl]prop-2-enamide
SMILESCOc1ccc(/C=C\C(=O)NO)c(OCc2ccccc2)c1CC=C(C)C
InChIInChI=1S/C22H25NO4/c1-16(2)9-12-19-20(26-3)13-10-18(11-14-21(24)23-25)22(19)27-15-17-7-5-4-6-8-17/h4-11,13-14,25H,12,15H2,1-3H3,(H,23,24)/b14-11-
InChIKeyZGTTZNBJQQELGC-KAMYIIQDSA-N
MW367.45 g/mol
LogP4.30
Rot. Bonds8

About (Z)-N-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-phenylmethoxyphenyl]prop-2-enamide

(Z)-N-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-phenylmethoxyphenyl]prop-2-enamide (PubChem CID 46932635) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is (Z)-N-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-phenylmethoxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-phenylmethoxyphenyl]prop-2-enamide
PubChem CID46932635
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name(Z)-N-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-phenylmethoxyphenyl]prop-2-enamide
SMILESCOc1ccc(/C=C\C(=O)NO)c(OCc2ccccc2)c1CC=C(C)C
InChIInChI=1S/C22H25NO4/c1-16(2)9-12-19-20(26-3)13-10-18(11-14-21(24)23-25)22(19)27-15-17-7-5-4-6-8-17/h4-11,13-14,25H,12,15H2,1-3H3,(H,23,24)/b14-11-
InChIKeyZGTTZNBJQQELGC-KAMYIIQDSA-N
XLogP4.30
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

(E)-3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide
CID 59532676
(E)-3-[2-[(4-ethylphenyl)methoxy]-4-methoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
CID 147754129
(Z)-N-(2-aminophenyl)-3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]-3-(3-methylbut-2-enyl)phenyl]prop-2-enamide
CID 46932634
(Z)-3-[2-[(4-bromophenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide
CID 58433894
(E)-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-[[4-(trichloromethoxy)phenyl]methoxy]phenyl]-N-oxidoprop-2-enamide
CID 59532683
(E)-3-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide
CID 58114369
(E)-3-[4-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxy]-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide
CID 58114355
(E)-N-benzyl-3-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 51058036
(E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057815
(E)-N-(2-aminophenyl)-3-[2-[(4-bromophenyl)methoxy]-4-(hydroxymethyl)-3-(3-methylbut-2-enyl)phenyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[2-[(4-chlorophenyl)methoxy]-4-(hydroxymethyl)-3-(3-methylbut-2-enyl)phenyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[2-[(4-fluorophenyl)methoxy]-4-(hydroxymethyl)-3-(3-methylbut-2-enyl)phenyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[4-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxy]-3-(3-methylbut-2-enyl)phenyl]prop-2-enamide;(E)-3-[2-[(4-chlorophenyl)methoxy]-4-(hydroxymethyl)-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide
CID 160666829
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
(E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057820

Frequently Asked Questions

What is the IUPAC name of (Z)-N-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-phenylmethoxyphenyl]prop-2-enamide?
The IUPAC name of (Z)-N-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-phenylmethoxyphenyl]prop-2-enamide (CID 46932635) is (Z)-N-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-phenylmethoxyphenyl]prop-2-enamide.
What is the SMILES notation for (Z)-N-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-phenylmethoxyphenyl]prop-2-enamide?
The canonical SMILES for (Z)-N-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-phenylmethoxyphenyl]prop-2-enamide is COc1ccc(/C=C\C(=O)NO)c(OCc2ccccc2)c1CC=C(C)C.
What is the InChIKey of (Z)-N-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-phenylmethoxyphenyl]prop-2-enamide?
The InChIKey is ZGTTZNBJQQELGC-KAMYIIQDSA-N. The full InChI is InChI=1S/C22H25NO4/c1-16(2)9-12-19-20(26-3)13-10-18(11-14-21(24)23-25)22(19)27-15-17-7-5-4-6-8-17/h4-11,13-14,25H,12,15H2,1-3H3,(H,23,24)/b14-11-.
What are the key properties of (Z)-N-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-phenylmethoxyphenyl]prop-2-enamide?
(Z)-N-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-phenylmethoxyphenyl]prop-2-enamide has a molecular weight of 367.45 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-phenylmethoxyphenyl]prop-2-enamide is sourced from PubChem (CID 46932635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).