N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide

C18H26N2O3 — CID 23660155

IUPACN-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide
SMILESCCOC(CCCNC(=O)Cc1c[nH]c2ccccc12)OCC
InChIInChI=1S/C18H26N2O3/c1-3-22-18(23-4-2)10-7-11-19-17(21)12-14-13-20-16-9-6-5-8-15(14)16/h5-6,8-9,13,18,20H,3-4,7,10-12H2,1-2H3,(H,19,21)
InChIKeyVIDVCCNHKFHOIX-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.01
Rot. Bonds10

About N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide

N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide (PubChem CID 23660155) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide
PubChem CID23660155
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide
SMILESCCOC(CCCNC(=O)Cc1c[nH]c2ccccc12)OCC
InChIInChI=1S/C18H26N2O3/c1-3-22-18(23-4-2)10-7-11-19-17(21)12-14-13-20-16-9-6-5-8-15(14)16/h5-6,8-9,13,18,20H,3-4,7,10-12H2,1-2H3,(H,19,21)
InChIKeyVIDVCCNHKFHOIX-UHFFFAOYSA-N
XLogP3.01
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(4,4-diethoxybutyl)-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

N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide
CID 178070448
N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide
CID 144920872
N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide
CID 71392573
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide
CID 47042094
hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 70007907
N-(3-ethenoxypropyl)-2-(1H-indol-3-yl)acetamide
CID 60654256
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide
CID 113256112
N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
CID 79547180
3-(2,2-diethoxyethyl)-1H-indole
CID 13270992
N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide
CID 17405014

Frequently Asked Questions

What is the IUPAC name of N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide (CID 23660155) is N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide is CCOC(CCCNC(=O)Cc1c[nH]c2ccccc12)OCC.
What is the InChIKey of N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is VIDVCCNHKFHOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-22-18(23-4-2)10-7-11-19-17(21)12-14-13-20-16-9-6-5-8-15(14)16/h5-6,8-9,13,18,20H,3-4,7,10-12H2,1-2H3,(H,19,21).
What are the key properties of N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide?
N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 23660155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).