1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide

C18H27NO — CID 54171569

IUPAC1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide
SMILESCCCCCC1(C(=O)NCCC)CCc2ccccc21
InChIInChI=1S/C18H27NO/c1-3-5-8-12-18(17(20)19-14-4-2)13-11-15-9-6-7-10-16(15)18/h6-7,9-10H,3-5,8,11-14H2,1-2H3,(H,19,20)
InChIKeyOVKCLKXNCQLVQP-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.98
Rot. Bonds7

About 1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide

1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide (PubChem CID 54171569) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide
PubChem CID54171569
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide
SMILESCCCCCC1(C(=O)NCCC)CCc2ccccc21
InChIInChI=1S/C18H27NO/c1-3-5-8-12-18(17(20)19-14-4-2)13-11-15-9-6-7-10-16(15)18/h6-7,9-10H,3-5,8,11-14H2,1-2H3,(H,19,20)
InChIKeyOVKCLKXNCQLVQP-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-iodobutyl)-N-propyl-2,3-dihydroindene-1-carboxamide
CID 54457633
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
5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147147
1-(propylamino)-2,3-dihydroindene-1-carboxamide
CID 60796921
1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide
CID 110437588
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
4-(bromomethyl)-4-heptyl-2,3-dihydro-1H-naphthalene
CID 66047892
4-(bromomethyl)-4-nonyl-2,3-dihydro-1H-naphthalene
CID 66047893

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide (CID 54171569) is 1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide is CCCCCC1(C(=O)NCCC)CCc2ccccc21.
What is the InChIKey of 1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is OVKCLKXNCQLVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-5-8-12-18(17(20)19-14-4-2)13-11-15-9-6-7-10-16(15)18/h6-7,9-10H,3-5,8,11-14H2,1-2H3,(H,19,20).
What are the key properties of 1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide?
1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 273.42 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 54171569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).