1-(4-iodobutyl)-N-propyl-2,3-dihydroindene-1-carboxamide

C17H24INO — CID 54457633

IUPAC1-(4-iodobutyl)-N-propyl-2,3-dihydroindene-1-carboxamide
SMILESCCCNC(=O)C1(CCCCI)CCc2ccccc21
InChIInChI=1S/C17H24INO/c1-2-13-19-16(20)17(10-5-6-12-18)11-9-14-7-3-4-8-15(14)17/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,19,20)
InChIKeyWZIODZCVXJIFFK-UHFFFAOYSA-N
MW385.29 g/mol
LogP4.00
Rot. Bonds7

About 1-(4-iodobutyl)-N-propyl-2,3-dihydroindene-1-carboxamide

1-(4-iodobutyl)-N-propyl-2,3-dihydroindene-1-carboxamide (PubChem CID 54457633) has the molecular formula C17H24INO and a molecular weight of 385.29 g/mol. Its IUPAC name is 1-(4-iodobutyl)-N-propyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name1-(4-iodobutyl)-N-propyl-2,3-dihydroindene-1-carboxamide
PubChem CID54457633
Molecular FormulaC17H24INO
Molecular Weight385.29 g/mol
Exact Mass385.09
IUPAC Name1-(4-iodobutyl)-N-propyl-2,3-dihydroindene-1-carboxamide
SMILESCCCNC(=O)C1(CCCCI)CCc2ccccc21
InChIInChI=1S/C17H24INO/c1-2-13-19-16(20)17(10-5-6-12-18)11-9-14-7-3-4-8-15(14)17/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,19,20)
InChIKeyWZIODZCVXJIFFK-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide
CID 54171569
1-heptyl-2,3-dihydroindene-1-carboxylic acid
CID 65406431
1-pentyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63402868
1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid
CID 79429175
1-(propylamino)-2,3-dihydroindene-1-carboxamide
CID 60796921
9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide
CID 22891380
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 5182693
1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 119429829
1-(4-methoxybutyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 104648534
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindene-1-carboxylic acid
CID 79428309
3-methyl-3-propyl-1,2-dihydroindene
CID 145156021
1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 62772754

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodobutyl)-N-propyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 1-(4-iodobutyl)-N-propyl-2,3-dihydroindene-1-carboxamide (CID 54457633) is 1-(4-iodobutyl)-N-propyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 1-(4-iodobutyl)-N-propyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 1-(4-iodobutyl)-N-propyl-2,3-dihydroindene-1-carboxamide is CCCNC(=O)C1(CCCCI)CCc2ccccc21.
What is the InChIKey of 1-(4-iodobutyl)-N-propyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is WZIODZCVXJIFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24INO/c1-2-13-19-16(20)17(10-5-6-12-18)11-9-14-7-3-4-8-15(14)17/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,19,20).
What are the key properties of 1-(4-iodobutyl)-N-propyl-2,3-dihydroindene-1-carboxamide?
1-(4-iodobutyl)-N-propyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 385.29 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodobutyl)-N-propyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 54457633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).