(E)-N-hydroxy-3-[1-(2-methoxyethyl)-3-[(pent-4-enylamino)methyl]indol-5-yl]prop-2-enamide;prop-1-ene

C23H33N3O3 — CID 143296759

IUPAC(E)-N-hydroxy-3-[1-(2-methoxyethyl)-3-[(pent-4-enylamino)methyl]indol-5-yl]prop-2-enamide;prop-1-ene
SMILESC=CC.C=CCCCNCc1cn(CCOC)c2ccc(/C=C/C(=O)NO)cc12
InChIInChI=1S/C20H27N3O3.C3H6/c1-3-4-5-10-21-14-17-15-23(11-12-26-2)19-8-6-16(13-18(17)19)7-9-20(24)22-25;1-3-2/h3,6-9,13,15,21,25H,1,4-5,10-12,14H2,2H3,(H,22,24);3H,1H2,2H3/b9-7+;
InChIKeyZUAIQQMMBMTLNQ-BXTVWIJMSA-N
MW399.54 g/mol
LogP4.05
Rot. Bonds11

About (E)-N-hydroxy-3-[1-(2-methoxyethyl)-3-[(pent-4-enylamino)methyl]indol-5-yl]prop-2-enamide;prop-1-ene

(E)-N-hydroxy-3-[1-(2-methoxyethyl)-3-[(pent-4-enylamino)methyl]indol-5-yl]prop-2-enamide;prop-1-ene (PubChem CID 143296759) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-(2-methoxyethyl)-3-[(pent-4-enylamino)methyl]indol-5-yl]prop-2-enamide;prop-1-ene.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-(2-methoxyethyl)-3-[(pent-4-enylamino)methyl]indol-5-yl]prop-2-enamide;prop-1-ene
PubChem CID143296759
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name(E)-N-hydroxy-3-[1-(2-methoxyethyl)-3-[(pent-4-enylamino)methyl]indol-5-yl]prop-2-enamide;prop-1-ene
SMILESC=CC.C=CCCCNCc1cn(CCOC)c2ccc(/C=C/C(=O)NO)cc12
InChIInChI=1S/C20H27N3O3.C3H6/c1-3-4-5-10-21-14-17-15-23(11-12-26-2)19-8-6-16(13-18(17)19)7-9-20(24)22-25;1-3-2/h3,6-9,13,15,21,25H,1,4-5,10-12,14H2,2H3,(H,22,24);3H,1H2,2H3/b9-7+;
InChIKeyZUAIQQMMBMTLNQ-BXTVWIJMSA-N
XLogP4.05
TPSA75.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-(2-methoxyethyl)-3-[(pent-4-enylamino)methyl]indol-5-yl]prop-2-enamide;prop-1-ene?
The IUPAC name of (E)-N-hydroxy-3-[1-(2-methoxyethyl)-3-[(pent-4-enylamino)methyl]indol-5-yl]prop-2-enamide;prop-1-ene (CID 143296759) is (E)-N-hydroxy-3-[1-(2-methoxyethyl)-3-[(pent-4-enylamino)methyl]indol-5-yl]prop-2-enamide;prop-1-ene.
What is the SMILES notation for (E)-N-hydroxy-3-[1-(2-methoxyethyl)-3-[(pent-4-enylamino)methyl]indol-5-yl]prop-2-enamide;prop-1-ene?
The canonical SMILES for (E)-N-hydroxy-3-[1-(2-methoxyethyl)-3-[(pent-4-enylamino)methyl]indol-5-yl]prop-2-enamide;prop-1-ene is C=CC.C=CCCCNCc1cn(CCOC)c2ccc(/C=C/C(=O)NO)cc12.
What is the InChIKey of (E)-N-hydroxy-3-[1-(2-methoxyethyl)-3-[(pent-4-enylamino)methyl]indol-5-yl]prop-2-enamide;prop-1-ene?
The InChIKey is ZUAIQQMMBMTLNQ-BXTVWIJMSA-N. The full InChI is InChI=1S/C20H27N3O3.C3H6/c1-3-4-5-10-21-14-17-15-23(11-12-26-2)19-8-6-16(13-18(17)19)7-9-20(24)22-25;1-3-2/h3,6-9,13,15,21,25H,1,4-5,10-12,14H2,2H3,(H,22,24);3H,1H2,2H3/b9-7+;.
What are the key properties of (E)-N-hydroxy-3-[1-(2-methoxyethyl)-3-[(pent-4-enylamino)methyl]indol-5-yl]prop-2-enamide;prop-1-ene?
(E)-N-hydroxy-3-[1-(2-methoxyethyl)-3-[(pent-4-enylamino)methyl]indol-5-yl]prop-2-enamide;prop-1-ene has a molecular weight of 399.54 g/mol, XLogP of 4.05, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-(2-methoxyethyl)-3-[(pent-4-enylamino)methyl]indol-5-yl]prop-2-enamide;prop-1-ene is sourced from PubChem (CID 143296759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).