sodium;formic acid;2-(5-methyl-2-pentyl-1,6-dihydroindol-6-id-3-yl)acetamide

C17H23N2NaO3 — CID 175176023

IUPACsodium;formic acid;2-(5-methyl-2-pentyl-1,6-dihydroindol-6-id-3-yl)acetamide
SMILESCCCCCc1[nH]c2c[c-]c(C)cc2c1CC(N)=O.O=CO.[Na+]
InChIInChI=1S/C16H21N2O.CH2O2.Na/c1-3-4-5-6-14-13(10-16(17)19)12-9-11(2)7-8-15(12)18-14;2-1-3;/h8-9,18H,3-6,10H2,1-2H3,(H2,17,19);1H,(H,2,3);/q-1;;+1
InChIKeyBDZROWPAXMZXCV-UHFFFAOYSA-N
MW326.37 g/mol
LogP-0.26
Rot. Bonds6

About sodium;formic acid;2-(5-methyl-2-pentyl-1,6-dihydroindol-6-id-3-yl)acetamide

sodium;formic acid;2-(5-methyl-2-pentyl-1,6-dihydroindol-6-id-3-yl)acetamide (PubChem CID 175176023) has the molecular formula C17H23N2NaO3 and a molecular weight of 326.37 g/mol. Its IUPAC name is sodium;formic acid;2-(5-methyl-2-pentyl-1,6-dihydroindol-6-id-3-yl)acetamide.

Molecular Properties

Compound Namesodium;formic acid;2-(5-methyl-2-pentyl-1,6-dihydroindol-6-id-3-yl)acetamide
PubChem CID175176023
Molecular FormulaC17H23N2NaO3
Molecular Weight326.37 g/mol
Exact Mass326.16
IUPAC Namesodium;formic acid;2-(5-methyl-2-pentyl-1,6-dihydroindol-6-id-3-yl)acetamide
SMILESCCCCCc1[nH]c2c[c-]c(C)cc2c1CC(N)=O.O=CO.[Na+]
InChIInChI=1S/C16H21N2O.CH2O2.Na/c1-3-4-5-6-14-13(10-16(17)19)12-9-11(2)7-8-15(12)18-14;2-1-3;/h8-9,18H,3-6,10H2,1-2H3,(H2,17,19);1H,(H,2,3);/q-1;;+1
InChIKeyBDZROWPAXMZXCV-UHFFFAOYSA-N
XLogP-0.26
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

disodium bis(3-(carboxymethyl)-5-methyl-2-pentyl-1H-indole-6-carboxylate)
CID 175188424
2-(2-pentyl-1H-indol-3-yl)ethyl acetate
CID 11054855
3-(5-formyl-2,4-dipentyl-1H-pyrrol-3-yl)propanoic acid
CID 87990731
3,4,5-trihexyl-1H-pyrrol-2-ol
CID 141227855
2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide
CID 175185429
4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
3-decylbenzene-1,2,4,5-tetracarboxamide
CID 175294645
N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide
CID 68726769
sodium;4,5-dihexyl-3-sulfophthalic acid;hydride
CID 173429118
2,3,6,7,9,10-hexaheptylanthracene
CID 14089080
ethyl 2-methyl-5-tridecyl-1H-imidazole-4-carboxylate
CID 59079325
3,4-diamino-2-hexyl-6-hydroxybenzaldehyde
CID 87391118

Frequently Asked Questions

What is the IUPAC name of sodium;formic acid;2-(5-methyl-2-pentyl-1,6-dihydroindol-6-id-3-yl)acetamide?
The IUPAC name of sodium;formic acid;2-(5-methyl-2-pentyl-1,6-dihydroindol-6-id-3-yl)acetamide (CID 175176023) is sodium;formic acid;2-(5-methyl-2-pentyl-1,6-dihydroindol-6-id-3-yl)acetamide.
What is the SMILES notation for sodium;formic acid;2-(5-methyl-2-pentyl-1,6-dihydroindol-6-id-3-yl)acetamide?
The canonical SMILES for sodium;formic acid;2-(5-methyl-2-pentyl-1,6-dihydroindol-6-id-3-yl)acetamide is CCCCCc1[nH]c2c[c-]c(C)cc2c1CC(N)=O.O=CO.[Na+].
What is the InChIKey of sodium;formic acid;2-(5-methyl-2-pentyl-1,6-dihydroindol-6-id-3-yl)acetamide?
The InChIKey is BDZROWPAXMZXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N2O.CH2O2.Na/c1-3-4-5-6-14-13(10-16(17)19)12-9-11(2)7-8-15(12)18-14;2-1-3;/h8-9,18H,3-6,10H2,1-2H3,(H2,17,19);1H,(H,2,3);/q-1;;+1.
What are the key properties of sodium;formic acid;2-(5-methyl-2-pentyl-1,6-dihydroindol-6-id-3-yl)acetamide?
sodium;formic acid;2-(5-methyl-2-pentyl-1,6-dihydroindol-6-id-3-yl)acetamide has a molecular weight of 326.37 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;formic acid;2-(5-methyl-2-pentyl-1,6-dihydroindol-6-id-3-yl)acetamide is sourced from PubChem (CID 175176023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).