N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C18H26N2O — CID 95166108

IUPACN-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCCN1CCCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H26N2O/c21-18(19-10-5-13-20-11-3-4-12-20)17-9-8-15-6-1-2-7-16(15)14-17/h8-9,14H,1-7,10-13H2,(H,19,21)
InChIKeyKTQHUEVQQZGTNE-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.78
Rot. Bonds5

About N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 95166108) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID95166108
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCCN1CCCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H26N2O/c21-18(19-10-5-13-20-11-3-4-12-20)17-9-8-15-6-1-2-7-16(15)14-17/h8-9,14H,1-7,10-13H2,(H,19,21)
InChIKeyKTQHUEVQQZGTNE-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911974
4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 62682209
N-[2-(azepan-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998667
3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 103841452
N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787
N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
N-(3-piperazin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 119393716
N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162658
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17395173
N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 35377516

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 95166108) is N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(NCCCN1CCCC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is KTQHUEVQQZGTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(19-10-5-13-20-11-3-4-12-20)17-9-8-15-6-1-2-7-16(15)14-17/h8-9,14H,1-7,10-13H2,(H,19,21).
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 95166108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).