N-[2-(4-butoxyphenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide

C18H27NO3 — CID 110015298

IUPACN-[2-(4-butoxyphenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCCCCOc1ccc(CCNC(=O)C2CCCC2O)cc1
InChIInChI=1S/C18H27NO3/c1-2-3-13-22-15-9-7-14(8-10-15)11-12-19-18(21)16-5-4-6-17(16)20/h7-10,16-17,20H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyYKMPVACIVJYWQG-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.69
Rot. Bonds8

About N-[2-(4-butoxyphenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide

N-[2-(4-butoxyphenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110015298) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[2-(4-butoxyphenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-butoxyphenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110015298
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[2-(4-butoxyphenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCCCCOc1ccc(CCNC(=O)C2CCCC2O)cc1
InChIInChI=1S/C18H27NO3/c1-2-3-13-22-15-9-7-14(8-10-15)11-12-19-18(21)16-5-4-6-17(16)20/h7-10,16-17,20H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyYKMPVACIVJYWQG-UHFFFAOYSA-N
XLogP2.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22687528
2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 20992239
N-[2-(4-butoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119714749
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986
2-amino-N-[2-(4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64817742
N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014408
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride
CID 119284641
2-hydroxy-N-(2-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 110015235
(3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7325487
2-[2-[4-(4-methylphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22684450
4-butoxy-N-cyclobutylbenzamide
CID 71449411

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butoxyphenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[2-(4-butoxyphenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide (CID 110015298) is N-[2-(4-butoxyphenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(4-butoxyphenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(4-butoxyphenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide is CCCCOc1ccc(CCNC(=O)C2CCCC2O)cc1.
What is the InChIKey of N-[2-(4-butoxyphenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is YKMPVACIVJYWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-2-3-13-22-15-9-7-14(8-10-15)11-12-19-18(21)16-5-4-6-17(16)20/h7-10,16-17,20H,2-6,11-13H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-butoxyphenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide?
N-[2-(4-butoxyphenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butoxyphenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110015298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).