N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide

C18H26N2O3 — CID 71392573

IUPACN-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide
SMILESCC(C)(O)C(O)CCCCNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H26N2O3/c1-18(2,23)16(21)9-5-6-10-19-17(22)11-13-12-20-15-8-4-3-7-14(13)15/h3-4,7-8,12,16,20-21,23H,5-6,9-11H2,1-2H3,(H,19,22)
InChIKeyIUAATEJSROYWFN-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.13
Rot. Bonds8

About N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide

N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide (PubChem CID 71392573) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide
PubChem CID71392573
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide
SMILESCC(C)(O)C(O)CCCCNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H26N2O3/c1-18(2,23)16(21)9-5-6-10-19-17(22)11-13-12-20-15-8-4-3-7-14(13)15/h3-4,7-8,12,16,20-21,23H,5-6,9-11H2,1-2H3,(H,19,22)
InChIKeyIUAATEJSROYWFN-UHFFFAOYSA-N
XLogP2.13
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide
CID 178070448
N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide
CID 23660155
hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 70007907
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-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide
CID 144920872
3-hydroxy-4-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 66002723
N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide
CID 47042094
N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide
CID 58790355
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
(2S)-N-(6-acetamidohexyl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 10091557
N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide
CID 17405014

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide (CID 71392573) is N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide is CC(C)(O)C(O)CCCCNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is IUAATEJSROYWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2,23)16(21)9-5-6-10-19-17(22)11-13-12-20-15-8-4-3-7-14(13)15/h3-4,7-8,12,16,20-21,23H,5-6,9-11H2,1-2H3,(H,19,22).
What are the key properties of N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide?
N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.13, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 71392573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).