N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C18H27NO2 — CID 103722801

IUPACN-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCCC(CCO)CNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H27NO2/c1-2-5-14(10-11-20)13-19-18(21)17-9-8-15-6-3-4-7-16(15)12-17/h8-9,12,14,20H,2-7,10-11,13H2,1H3,(H,19,21)
InChIKeyQFRMALWVBFRTOO-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.09
Rot. Bonds7

About N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 103722801) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID103722801
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCCC(CCO)CNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H27NO2/c1-2-5-14(10-11-20)13-19-18(21)17-9-8-15-6-3-4-7-16(15)12-17/h8-9,12,14,20H,2-7,10-11,13H2,1H3,(H,19,21)
InChIKeyQFRMALWVBFRTOO-UHFFFAOYSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 104873176
N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106116805
N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 65037202
N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide
CID 103722668
N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 103722617
3-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzamide
CID 103729015
N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
CID 111662354
N-[2-(2-hydroxyethyl)pentyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 103773039
N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide
CID 103722829
N-[(2R)-2-(2-hydroxyethyl)pentyl]-3-methyl-4-nitrobenzamide
CID 96525519
3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid
CID 55105106
N-(2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 85007437

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 103722801) is N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CCCC(CCO)CNC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is QFRMALWVBFRTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-5-14(10-11-20)13-19-18(21)17-9-8-15-6-3-4-7-16(15)12-17/h8-9,12,14,20H,2-7,10-11,13H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 103722801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).