N-(2-hydroxyethyl)-1-(4-propoxyphenyl)cyclopentane-1-carboxamide

C17H25NO3 — CID 56692662

IUPACN-(2-hydroxyethyl)-1-(4-propoxyphenyl)cyclopentane-1-carboxamide
SMILESCCCOc1ccc(C2(C(=O)NCCO)CCCC2)cc1
InChIInChI=1S/C17H25NO3/c1-2-13-21-15-7-5-14(6-8-15)17(9-3-4-10-17)16(20)18-11-12-19/h5-8,19H,2-4,9-13H2,1H3,(H,18,20)
InChIKeyGNKHXYWEOHEQDV-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.40
Rot. Bonds7

About N-(2-hydroxyethyl)-1-(4-propoxyphenyl)cyclopentane-1-carboxamide

N-(2-hydroxyethyl)-1-(4-propoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 56692662) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-(4-propoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-(4-propoxyphenyl)cyclopentane-1-carboxamide
PubChem CID56692662
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(2-hydroxyethyl)-1-(4-propoxyphenyl)cyclopentane-1-carboxamide
SMILESCCCOc1ccc(C2(C(=O)NCCO)CCCC2)cc1
InChIInChI=1S/C17H25NO3/c1-2-13-21-15-7-5-14(6-8-15)17(9-3-4-10-17)16(20)18-11-12-19/h5-8,19H,2-4,9-13H2,1H3,(H,18,20)
InChIKeyGNKHXYWEOHEQDV-UHFFFAOYSA-N
XLogP2.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propoxyphenyl)-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 23732565
N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 100543641
1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide
CID 110439215
1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 78845434
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241
N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 32621862
1-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 112537817
1-(4-ethoxyphenyl)cyclobutane-1-carbohydrazide
CID 116844292
N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide
CID 124624780
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
CID 32935327

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-(4-propoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-(4-propoxyphenyl)cyclopentane-1-carboxamide (CID 56692662) is N-(2-hydroxyethyl)-1-(4-propoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-(4-propoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-(4-propoxyphenyl)cyclopentane-1-carboxamide is CCCOc1ccc(C2(C(=O)NCCO)CCCC2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-1-(4-propoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is GNKHXYWEOHEQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-13-21-15-7-5-14(6-8-15)17(9-3-4-10-17)16(20)18-11-12-19/h5-8,19H,2-4,9-13H2,1H3,(H,18,20).
What are the key properties of N-(2-hydroxyethyl)-1-(4-propoxyphenyl)cyclopentane-1-carboxamide?
N-(2-hydroxyethyl)-1-(4-propoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-(4-propoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 56692662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).