N-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide

C23H24N2O4 — CID 173066122

IUPACN-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
SMILESCc1c(C(=O)C=Cc2cccc(C=CC(=O)NO)c2)cccc1N1CCOCC1
InChIInChI=1S/C23H24N2O4/c1-17-20(6-3-7-21(17)25-12-14-29-15-13-25)22(26)10-8-18-4-2-5-19(16-18)9-11-23(27)24-28/h2-11,16,28H,12-15H2,1H3,(H,24,27)
InChIKeySYGRXGRKNPRSNM-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.25
Rot. Bonds6

About N-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide

N-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide (PubChem CID 173066122) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
PubChem CID173066122
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
SMILESCc1c(C(=O)C=Cc2cccc(C=CC(=O)NO)c2)cccc1N1CCOCC1
InChIInChI=1S/C23H24N2O4/c1-17-20(6-3-7-21(17)25-12-14-29-15-13-25)22(26)10-8-18-4-2-5-19(16-18)9-11-23(27)24-28/h2-11,16,28H,12-15H2,1H3,(H,24,27)
InChIKeySYGRXGRKNPRSNM-UHFFFAOYSA-N
XLogP3.25
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[3-[3-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 74428920
3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 75618828
2-methyl-3-morpholin-4-ylbenzoate
CID 7148425
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
N-hydroxy-3-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 74428828
(E)-1-(2,5-dimethylthiophen-3-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8727394
(E)-3-(3-methylphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 48664048
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 59606946
3-(3-methyl-4-morpholin-4-ylphenyl)prop-2-enoic acid
CID 76936167
1-(5-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117312505
(E)-N-hydroxy-3-[6-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 25206197
N-hydroxy-3-[6-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 74428632

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide (CID 173066122) is N-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide is Cc1c(C(=O)C=Cc2cccc(C=CC(=O)NO)c2)cccc1N1CCOCC1.
What is the InChIKey of N-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide?
The InChIKey is SYGRXGRKNPRSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-17-20(6-3-7-21(17)25-12-14-29-15-13-25)22(26)10-8-18-4-2-5-19(16-18)9-11-23(27)24-28/h2-11,16,28H,12-15H2,1H3,(H,24,27).
What are the key properties of N-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide?
N-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide has a molecular weight of 392.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide is sourced from PubChem (CID 173066122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).