N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide

C22H28N2O4 — CID 100770358

IUPACN-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCCOCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cn1
InChIInChI=1S/C22H28N2O4/c1-3-27-14-15-28-20-11-8-18(16-23-20)24-21(25)22(12-4-5-13-22)17-6-9-19(26-2)10-7-17/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,25)
InChIKeyJWJRLQBLCCPNCH-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.96
Rot. Bonds9

About N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide

N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 100770358) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID100770358
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCCOCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cn1
InChIInChI=1S/C22H28N2O4/c1-3-27-14-15-28-20-11-8-18(16-23-20)24-21(25)22(12-4-5-13-22)17-6-9-19(26-2)10-7-17/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,25)
InChIKeyJWJRLQBLCCPNCH-UHFFFAOYSA-N
XLogP3.96
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100769840
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100769274
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241
N-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659626
N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 100770596
N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide
CID 100775055
1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide
CID 100781335
N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770743
1-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclohexane-1-carboxamide
CID 43704144
2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100668327
1-(4-chlorophenyl)-N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771359

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide (CID 100770358) is N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide is CCOCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cn1.
What is the InChIKey of N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is JWJRLQBLCCPNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-3-27-14-15-28-20-11-8-18(16-23-20)24-21(25)22(12-4-5-13-22)17-6-9-19(26-2)10-7-17/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,25).
What are the key properties of N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100770358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).