N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide

C18H26N2O2 — CID 68726769

IUPACN-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide
SMILESCCCCCc1[nH]c2ccc(OC)cc2c1CCNC(C)=O
InChIInChI=1S/C18H26N2O2/c1-4-5-6-7-17-15(10-11-19-13(2)21)16-12-14(22-3)8-9-18(16)20-17/h8-9,12,20H,4-7,10-11H2,1-3H3,(H,19,21)
InChIKeyNXOAFJIKEPTPOV-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.59
Rot. Bonds8

About N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide

N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide (PubChem CID 68726769) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide
PubChem CID68726769
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide
SMILESCCCCCc1[nH]c2ccc(OC)cc2c1CCNC(C)=O
InChIInChI=1S/C18H26N2O2/c1-4-5-6-7-17-15(10-11-19-13(2)21)16-12-14(22-3)8-9-18(16)20-17/h8-9,12,20H,4-7,10-11H2,1-3H3,(H,19,21)
InChIKeyNXOAFJIKEPTPOV-UHFFFAOYSA-N
XLogP3.59
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 15382326
N-[2-[2-(furan-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946209
N-[2-[2-[(4-chloro-N-methylanilino)methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 45269183
N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946255
N-[2-[5-methoxy-2-[[N-methyl-4-(trifluoromethyl)anilino]methyl]-1H-indol-3-yl]ethyl]acetamide
CID 45268310
N-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide
CID 146163548
N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide
CID 58946267
N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 15382330
N-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946204
N-[2-[2-[3-chloro-2-(iodomethyl)phenyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 89340135
N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 162686350
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide (CID 68726769) is N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide is CCCCCc1[nH]c2ccc(OC)cc2c1CCNC(C)=O.
What is the InChIKey of N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is NXOAFJIKEPTPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-5-6-7-17-15(10-11-19-13(2)21)16-12-14(22-3)8-9-18(16)20-17/h8-9,12,20H,4-7,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide?
N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 302.42 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 68726769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).