4-[2-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]ethylamino]-N-methylbutanamide

C32H36N4O2 — CID 134530855

IUPAC4-[2-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]ethylamino]-N-methylbutanamide
SMILESCNC(=O)CCCNCCOc1ccc(/C(=C(\c2ccccc2)C2CCC2)c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C32H36N4O2/c1-33-30(37)11-6-18-34-19-20-38-28-15-12-25(13-16-28)32(26-14-17-29-27(21-26)22-35-36-29)31(24-9-5-10-24)23-7-3-2-4-8-23/h2-4,7-8,12-17,21-22,24,34H,5-6,9-11,18-20H2,1H3,(H,33,37)(H,35,36)/b32-31-
InChIKeySHNXHZBJIRSINX-MVJHLKBCSA-N
MW508.67 g/mol
LogP5.82
Rot. Bonds12

About 4-[2-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]ethylamino]-N-methylbutanamide

4-[2-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]ethylamino]-N-methylbutanamide (PubChem CID 134530855) has the molecular formula C32H36N4O2 and a molecular weight of 508.67 g/mol. Its IUPAC name is 4-[2-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]ethylamino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[2-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]ethylamino]-N-methylbutanamide
PubChem CID134530855
Molecular FormulaC32H36N4O2
Molecular Weight508.67 g/mol
Exact Mass508.28
IUPAC Name4-[2-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]ethylamino]-N-methylbutanamide
SMILESCNC(=O)CCCNCCOc1ccc(/C(=C(\c2ccccc2)C2CCC2)c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C32H36N4O2/c1-33-30(37)11-6-18-34-19-20-38-28-15-12-25(13-16-28)32(26-14-17-29-27(21-26)22-35-36-29)31(24-9-5-10-24)23-7-3-2-4-8-23/h2-4,7-8,12-17,21-22,24,34H,5-6,9-11,18-20H2,1H3,(H,33,37)(H,35,36)/b32-31-
InChIKeySHNXHZBJIRSINX-MVJHLKBCSA-N
XLogP5.82
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]ethylamino]-N-methylbutanamide with MolForge

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Related Compounds

N-methyl-4-[2-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethylamino]butanamide
CID 134519217
(E)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N,N-dimethylhept-2-enamide
CID 158658674
(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one
CID 158067412
N-methyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]butanamide
CID 146225468
(E)-3-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-(2-isocyano-4-methoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 123200104
2-[4-[2-cyclopentyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylethenyl]phenoxy]-N,N-dimethylethanamine
CID 172640286
5-[(E)-2-(4-chloro-2-methylphenyl)-2-cyclopropyl-1-phenylethenyl]-1H-indazole
CID 141376003
(E)-3-[4-[(E)-2-[4-(2-hydroxyethoxy)phenyl]-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66802597
(E)-N-but-3-ynyl-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide
CID 158379723
3-[4-[2-(3-butoxyphenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66793350
4-[(Z)-1-(4-butoxyphenyl)-2-(1H-indazol-5-yl)but-1-enyl]phenol
CID 149496652
N-methyl-1H-indazole-5-carboxamide
CID 22934041

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]ethylamino]-N-methylbutanamide?
The IUPAC name of 4-[2-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]ethylamino]-N-methylbutanamide (CID 134530855) is 4-[2-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]ethylamino]-N-methylbutanamide.
What is the SMILES notation for 4-[2-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]ethylamino]-N-methylbutanamide?
The canonical SMILES for 4-[2-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]ethylamino]-N-methylbutanamide is CNC(=O)CCCNCCOc1ccc(/C(=C(\c2ccccc2)C2CCC2)c2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of 4-[2-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]ethylamino]-N-methylbutanamide?
The InChIKey is SHNXHZBJIRSINX-MVJHLKBCSA-N. The full InChI is InChI=1S/C32H36N4O2/c1-33-30(37)11-6-18-34-19-20-38-28-15-12-25(13-16-28)32(26-14-17-29-27(21-26)22-35-36-29)31(24-9-5-10-24)23-7-3-2-4-8-23/h2-4,7-8,12-17,21-22,24,34H,5-6,9-11,18-20H2,1H3,(H,33,37)(H,35,36)/b32-31-.
What are the key properties of 4-[2-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]ethylamino]-N-methylbutanamide?
4-[2-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]ethylamino]-N-methylbutanamide has a molecular weight of 508.67 g/mol, XLogP of 5.82, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]ethylamino]-N-methylbutanamide is sourced from PubChem (CID 134530855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).