N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide

C16H18N2O — CID 113256112

IUPACN-hex-5-ynyl-2-(1H-indol-3-yl)acetamide
SMILESC#CCCCCNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H18N2O/c1-2-3-4-7-10-17-16(19)11-13-12-18-15-9-6-5-8-14(13)15/h1,5-6,8-9,12,18H,3-4,7,10-11H2,(H,17,19)
InChIKeyWHTJMLINKMQDRN-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.63
Rot. Bonds6

About N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide

N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide (PubChem CID 113256112) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-hex-5-ynyl-2-(1H-indol-3-yl)acetamide
PubChem CID113256112
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-hex-5-ynyl-2-(1H-indol-3-yl)acetamide
SMILESC#CCCCCNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H18N2O/c1-2-3-4-7-10-17-16(19)11-13-12-18-15-9-6-5-8-14(13)15/h1,5-6,8-9,12,18H,3-4,7,10-11H2,(H,17,19)
InChIKeyWHTJMLINKMQDRN-UHFFFAOYSA-N
XLogP2.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 70007907
N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide
CID 178070448
N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide
CID 17405014
N-(3-ethenoxypropyl)-2-(1H-indol-3-yl)acetamide
CID 60654256
N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide
CID 71392573
N-hex-5-ynyl-2-(2-methylphenyl)acetamide
CID 103758083
N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide
CID 144920872
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide
CID 23660155
N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide
CID 47042094
N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide
CID 47029588
N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide
CID 102304258

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide (CID 113256112) is N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide is C#CCCCCNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide?
The InChIKey is WHTJMLINKMQDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-3-4-7-10-17-16(19)11-13-12-18-15-9-6-5-8-14(13)15/h1,5-6,8-9,12,18H,3-4,7,10-11H2,(H,17,19).
What are the key properties of N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide?
N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 113256112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).