(E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide

C20H18N2O3 — CID 58460273

IUPAC(E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide
SMILESO=C(/C=C/C(=O)NO)Cc1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C20H18N2O3/c23-18(7-9-20(24)21-25)13-16-6-8-19-17(12-16)10-11-22(19)14-15-4-2-1-3-5-15/h1-12,25H,13-14H2,(H,21,24)/b9-7+
InChIKeyQOJRPKPMULVHJY-VQHVLOKHSA-N
MW334.38 g/mol
LogP2.86
Rot. Bonds6

About (E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide

(E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide (PubChem CID 58460273) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide.

Molecular Properties

Compound Name(E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide
PubChem CID58460273
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name(E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide
SMILESO=C(/C=C/C(=O)NO)Cc1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C20H18N2O3/c23-18(7-9-20(24)21-25)13-16-6-8-19-17(12-16)10-11-22(19)14-15-4-2-1-3-5-15/h1-12,25H,13-14H2,(H,21,24)/b9-7+
InChIKeyQOJRPKPMULVHJY-VQHVLOKHSA-N
XLogP2.86
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.86
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

2-(1-benzylindol-5-yl)acetic acid
CID 71441824
1-benzyl-N-methylsulfonylindole-5-carboxamide
CID 171343054
2-(1-benzylindol-5-yl)ethanethiol
CID 143923933
2-[(1-benzylindol-5-yl)methyl]-5-chlorobenzoic acid
CID 157427353
4-[1-[(4-fluorophenyl)methyl]indol-5-yl]-3-methylbut-2-enoic acid
CID 67753951
amino 3-(1-benzylindol-5-yl)prop-2-enoate
CID 76793084
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzoic acid
CID 102912731
1-benzyl-5-ethenylindole
CID 71373149
(1-benzylindol-5-yl)boronic acid
CID 134128465
4-[(5-bromoindol-1-yl)methyl]benzoic acid
CID 4576218
1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide
CID 90075227
4-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 63879545

Frequently Asked Questions

What is the IUPAC name of (E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide?
The IUPAC name of (E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide (CID 58460273) is (E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide.
What is the SMILES notation for (E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide?
The canonical SMILES for (E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide is O=C(/C=C/C(=O)NO)Cc1ccc2c(ccn2Cc2ccccc2)c1.
What is the InChIKey of (E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide?
The InChIKey is QOJRPKPMULVHJY-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-18(7-9-20(24)21-25)13-16-6-8-19-17(12-16)10-11-22(19)14-15-4-2-1-3-5-15/h1-12,25H,13-14H2,(H,21,24)/b9-7+.
What are the key properties of (E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide?
(E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide has a molecular weight of 334.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide is sourced from PubChem (CID 58460273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).