2-[4-(dimethylamino)-4-phenylcyclohexylidene]-6-(1H-indol-3-yl)hexanamide

C28H35N3O — CID 69335635

IUPAC2-[4-(dimethylamino)-4-phenylcyclohexylidene]-6-(1H-indol-3-yl)hexanamide
SMILESCN(C)C1(c2ccccc2)CCC(=C(CCCCc2c[nH]c3ccccc23)C(N)=O)CC1
InChIInChI=1S/C28H35N3O/c1-31(2)28(23-11-4-3-5-12-23)18-16-21(17-19-28)25(27(29)32)14-7-6-10-22-20-30-26-15-9-8-13-24(22)26/h3-5,8-9,11-13,15,20,30H,6-7,10,14,16-19H2,1-2H3,(H2,29,32)/b25-21-
InChIKeyFURZKHYXUVDKEF-DAFNUICNSA-N
MW429.61 g/mol
LogP5.69
Rot. Bonds8

About 2-[4-(dimethylamino)-4-phenylcyclohexylidene]-6-(1H-indol-3-yl)hexanamide

2-[4-(dimethylamino)-4-phenylcyclohexylidene]-6-(1H-indol-3-yl)hexanamide (PubChem CID 69335635) has the molecular formula C28H35N3O and a molecular weight of 429.61 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-4-phenylcyclohexylidene]-6-(1H-indol-3-yl)hexanamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-4-phenylcyclohexylidene]-6-(1H-indol-3-yl)hexanamide
PubChem CID69335635
Molecular FormulaC28H35N3O
Molecular Weight429.61 g/mol
Exact Mass429.28
IUPAC Name2-[4-(dimethylamino)-4-phenylcyclohexylidene]-6-(1H-indol-3-yl)hexanamide
SMILESCN(C)C1(c2ccccc2)CCC(=C(CCCCc2c[nH]c3ccccc23)C(N)=O)CC1
InChIInChI=1S/C28H35N3O/c1-31(2)28(23-11-4-3-5-12-23)18-16-21(17-19-28)25(27(29)32)14-7-6-10-22-20-30-26-15-9-8-13-24(22)26/h3-5,8-9,11-13,15,20,30H,6-7,10,14,16-19H2,1-2H3,(H2,29,32)/b25-21-
InChIKeyFURZKHYXUVDKEF-DAFNUICNSA-N
XLogP5.69
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.61
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(dimethylamino)-4-phenylcyclohexyl]amino]-3-(1H-indol-3-yl)propanamide;dihydrochloride
CID 68785177
4-(1H-indol-3-yl)butanamide
CID 588715
1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]-1-sulfanylurea
CID 87738701
2-[[2-[4-(dimethylamino)-4-phenylcyclohexyl]acetyl]amino]-4-(1H-indol-3-yl)butanoic acid
CID 90969466
N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 123961243
4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 16582538
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine
CID 68632050
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576
ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
CID 58248748

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-4-phenylcyclohexylidene]-6-(1H-indol-3-yl)hexanamide?
The IUPAC name of 2-[4-(dimethylamino)-4-phenylcyclohexylidene]-6-(1H-indol-3-yl)hexanamide (CID 69335635) is 2-[4-(dimethylamino)-4-phenylcyclohexylidene]-6-(1H-indol-3-yl)hexanamide.
What is the SMILES notation for 2-[4-(dimethylamino)-4-phenylcyclohexylidene]-6-(1H-indol-3-yl)hexanamide?
The canonical SMILES for 2-[4-(dimethylamino)-4-phenylcyclohexylidene]-6-(1H-indol-3-yl)hexanamide is CN(C)C1(c2ccccc2)CCC(=C(CCCCc2c[nH]c3ccccc23)C(N)=O)CC1.
What is the InChIKey of 2-[4-(dimethylamino)-4-phenylcyclohexylidene]-6-(1H-indol-3-yl)hexanamide?
The InChIKey is FURZKHYXUVDKEF-DAFNUICNSA-N. The full InChI is InChI=1S/C28H35N3O/c1-31(2)28(23-11-4-3-5-12-23)18-16-21(17-19-28)25(27(29)32)14-7-6-10-22-20-30-26-15-9-8-13-24(22)26/h3-5,8-9,11-13,15,20,30H,6-7,10,14,16-19H2,1-2H3,(H2,29,32)/b25-21-.
What are the key properties of 2-[4-(dimethylamino)-4-phenylcyclohexylidene]-6-(1H-indol-3-yl)hexanamide?
2-[4-(dimethylamino)-4-phenylcyclohexylidene]-6-(1H-indol-3-yl)hexanamide has a molecular weight of 429.61 g/mol, XLogP of 5.69, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-4-phenylcyclohexylidene]-6-(1H-indol-3-yl)hexanamide is sourced from PubChem (CID 69335635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).