2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid

C26H41NO3 — CID 21191866

IUPAC2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
SMILESCCCCCCCCCCCCCCn1c(C)c(CC(=O)O)c2cc(OC)ccc21
InChIInChI=1S/C26H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-27-21(2)23(20-26(28)29)24-19-22(30-3)16-17-25(24)27/h16-17,19H,4-15,18,20H2,1-3H3,(H,28,29)
InChIKeyFQNQVYKKRDCMDZ-UHFFFAOYSA-N
MW415.62 g/mol
LogP7.29
Rot. Bonds16

About 2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid

2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid (PubChem CID 21191866) has the molecular formula C26H41NO3 and a molecular weight of 415.62 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
PubChem CID21191866
Molecular FormulaC26H41NO3
Molecular Weight415.62 g/mol
Exact Mass415.31
IUPAC Name2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
SMILESCCCCCCCCCCCCCCn1c(C)c(CC(=O)O)c2cc(OC)ccc21
InChIInChI=1S/C26H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-27-21(2)23(20-26(28)29)24-19-22(30-3)16-17-25(24)27/h16-17,19H,4-15,18,20H2,1-3H3,(H,28,29)
InChIKeyFQNQVYKKRDCMDZ-UHFFFAOYSA-N
XLogP7.29
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.62
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(5-methoxy-2-methyl-1-octadecylindol-3-yl)propanoic acid
CID 70340163
2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide
CID 70239958
2-[5-methoxy-2-methyl-1-(2-methylpropyl)indol-3-yl]acetic acid
CID 23368755
2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82248163
2-[1-(4-butoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11395329
2-[5-methoxy-2-methyl-1-[(4-phenylmethoxyphenyl)methyl]indol-3-yl]acetic acid
CID 21191889
2-[5-methoxy-2-methyl-1-(pyridin-3-ylmethyl)indol-3-yl]acetic acid
CID 23368789
2-[[2-(1-benzyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dimethyloctanamide
CID 67563171
5-methoxy-1,2-dimethyl-3-pentylindole
CID 129194157
2-[1-(4-ethoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11245558
2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetic acid
CID 21191884
9-butyl-3-methoxycarbazole
CID 132503458

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid?
The IUPAC name of 2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid (CID 21191866) is 2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid?
The canonical SMILES for 2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid is CCCCCCCCCCCCCCn1c(C)c(CC(=O)O)c2cc(OC)ccc21.
What is the InChIKey of 2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid?
The InChIKey is FQNQVYKKRDCMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-27-21(2)23(20-26(28)29)24-19-22(30-3)16-17-25(24)27/h16-17,19H,4-15,18,20H2,1-3H3,(H,28,29).
What are the key properties of 2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid?
2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid has a molecular weight of 415.62 g/mol, XLogP of 7.29, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid is sourced from PubChem (CID 21191866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).