(E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide

C21H17NO5 — CID 44561975

IUPAC(E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide
SMILESCOc1ccc2cc(C(=O)/C=C/c3ccc(/C=C/C(=O)NO)o3)ccc2c1
InChIInChI=1S/C21H17NO5/c1-26-19-5-4-14-12-16(3-2-15(14)13-19)20(23)10-8-17-6-7-18(27-17)9-11-21(24)22-25/h2-13,25H,1H3,(H,22,24)/b10-8+,11-9+
InChIKeyWPZRRDIPOGPABO-GFULKKFKSA-N
MW363.37 g/mol
LogP3.86
Rot. Bonds6

About (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide

(E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide (PubChem CID 44561975) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide
PubChem CID44561975
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name(E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide
SMILESCOc1ccc2cc(C(=O)/C=C/c3ccc(/C=C/C(=O)NO)o3)ccc2c1
InChIInChI=1S/C21H17NO5/c1-26-19-5-4-14-12-16(3-2-15(14)13-19)20(23)10-8-17-6-7-18(27-17)9-11-21(24)22-25/h2-13,25H,1H3,(H,22,24)/b10-8+,11-9+
InChIKeyWPZRRDIPOGPABO-GFULKKFKSA-N
XLogP3.86
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.86
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

2-[3-(4''-Methoxy-biphenyl-4-yl)-3-oxo-propyl]-naphthalene-1-carboxylic acid hydroxyamide
CID 10273973
6-Butoxy-naphthalene-2-carboxylic acid hydroxy-methyl-amide
CID 13672349
(E)-N-Hydroxy-3-(5-((E)-3-(4-isopropylphenyl)-3-oxoprop-1-enyl)furan-2-yl)acrylamide
CID 44561972
(E)-N-Hydroxy-3-(5-((E)-3-(naphthalen-2-yl)-3-oxoprop-1-enyl)furan-2-yl)acrylamide
CID 44561976
Methyl 1-[8-(hydroxyamino)-8-oxooctoxy]naphthalene-2-carboxylate
CID 155559583
2-[4-(4''-Methoxy-biphenyl-4-yl)-4-oxo-butyl]-naphthalene-1-carboxylic acid hydroxyamide
CID 10296950
N-Hydroxy-6-methoxy-2-naphthalenecarboxamide
CID 13672347
6-Butoxy-N-hydroxynaphthalene-2-carboxamide
CID 13672348
6-Heptyloxy-naphthalene-2-carboxylic acid hydroxyamide
CID 13672350
6-Octyloxy-naphthalene-2-carboxylic acid hydroxyamide
CID 13672351
6-Allyloxy-naphthalene-2-carboxylic acid hydroxyamide
CID 13672352
6-Non-3-enyloxy-naphthalene-2-carboxylic acid hydroxyamide
CID 44369597

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide (CID 44561975) is (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide is COc1ccc2cc(C(=O)/C=C/c3ccc(/C=C/C(=O)NO)o3)ccc2c1.
What is the InChIKey of (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide?
The InChIKey is WPZRRDIPOGPABO-GFULKKFKSA-N. The full InChI is InChI=1S/C21H17NO5/c1-26-19-5-4-14-12-16(3-2-15(14)13-19)20(23)10-8-17-6-7-18(27-17)9-11-21(24)22-25/h2-13,25H,1H3,(H,22,24)/b10-8+,11-9+.
What are the key properties of (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide?
(E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide has a molecular weight of 363.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide is sourced from PubChem (CID 44561975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).