(2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-(1H-indol-3-yl)penta-2,4-dienamide

C20H24N2O3 — CID 58248767

IUPAC(2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-(1H-indol-3-yl)penta-2,4-dienamide
SMILESO=C(CO)CCCCCNC(=O)/C=C/C=C/c1c[nH]c2ccccc12
InChIInChI=1S/C20H24N2O3/c23-15-17(24)9-2-1-7-13-21-20(25)12-6-3-8-16-14-22-19-11-5-4-10-18(16)19/h3-6,8,10-12,14,22-23H,1-2,7,9,13,15H2,(H,21,25)/b8-3+,12-6+
InChIKeyICTFZXVFKWFMMY-YSVFXRPESA-N
MW340.42 g/mol
LogP2.98
Rot. Bonds10

About (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-(1H-indol-3-yl)penta-2,4-dienamide

(2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-(1H-indol-3-yl)penta-2,4-dienamide (PubChem CID 58248767) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-(1H-indol-3-yl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-(1H-indol-3-yl)penta-2,4-dienamide
PubChem CID58248767
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-(1H-indol-3-yl)penta-2,4-dienamide
SMILESO=C(CO)CCCCCNC(=O)/C=C/C=C/c1c[nH]c2ccccc12
InChIInChI=1S/C20H24N2O3/c23-15-17(24)9-2-1-7-13-21-20(25)12-6-3-8-16-14-22-19-11-5-4-10-18(16)19/h3-6,8,10-12,14,22-23H,1-2,7,9,13,15H2,(H,21,25)/b8-3+,12-6+
InChIKeyICTFZXVFKWFMMY-YSVFXRPESA-N
XLogP2.98
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide
CID 58248666
N-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide
CID 85325370
(2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide
CID 44533348
N-(2-tert-butylsulfanylethyl)-3-(1H-indol-3-yl)prop-2-enamide
CID 3860366
N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide
CID 85068732
(2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide
CID 47101909
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
N-hydroxy-5-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]pentanamide
CID 57495401
4-[(E)-3-[(7-hydroxy-6-oxoheptyl)amino]-3-oxoprop-1-enyl]benzamide
CID 58248643
N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)prop-2-enamide
CID 73338848
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576
(2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]penta-2,4-dienamide
CID 23046179

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-(1H-indol-3-yl)penta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-(1H-indol-3-yl)penta-2,4-dienamide (CID 58248767) is (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-(1H-indol-3-yl)penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-(1H-indol-3-yl)penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-(1H-indol-3-yl)penta-2,4-dienamide is O=C(CO)CCCCCNC(=O)/C=C/C=C/c1c[nH]c2ccccc12.
What is the InChIKey of (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-(1H-indol-3-yl)penta-2,4-dienamide?
The InChIKey is ICTFZXVFKWFMMY-YSVFXRPESA-N. The full InChI is InChI=1S/C20H24N2O3/c23-15-17(24)9-2-1-7-13-21-20(25)12-6-3-8-16-14-22-19-11-5-4-10-18(16)19/h3-6,8,10-12,14,22-23H,1-2,7,9,13,15H2,(H,21,25)/b8-3+,12-6+.
What are the key properties of (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-(1H-indol-3-yl)penta-2,4-dienamide?
(2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-(1H-indol-3-yl)penta-2,4-dienamide has a molecular weight of 340.42 g/mol, XLogP of 2.98, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-(1H-indol-3-yl)penta-2,4-dienamide is sourced from PubChem (CID 58248767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).