N-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide

C22H26N2O5 — CID 100659626

IUPACN-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
SMILESCCOCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1
InChIInChI=1S/C22H26N2O5/c1-2-28-15-16-29-20-11-7-18(8-12-20)23-21(25)22(13-3-4-14-22)17-5-9-19(10-6-17)24(26)27/h5-12H,2-4,13-16H2,1H3,(H,23,25)
InChIKeyNDZDHTMIAFXMMD-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.46
Rot. Bonds9

About N-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide

N-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide (PubChem CID 100659626) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
PubChem CID100659626
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
SMILESCCOCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1
InChIInChI=1S/C22H26N2O5/c1-2-28-15-16-29-20-11-7-18(8-12-20)23-21(25)22(13-3-4-14-22)17-5-9-19(10-6-17)24(26)27/h5-12H,2-4,13-16H2,1H3,(H,23,25)
InChIKeyNDZDHTMIAFXMMD-UHFFFAOYSA-N
XLogP4.46
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100769274
N-[4-[3-(diethylamino)propoxy]phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659441
N-(4-butan-2-yloxyphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 133179608
N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide
CID 2958215
N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 100770596
4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide
CID 100685761
N-(3-methyl-4-propoxyphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659685
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100770358
methyl 2-ethoxy-5-[[1-(4-nitrophenyl)cyclohexanecarbonyl]amino]benzoate
CID 100744886
N-(6-butoxy-5-methyl-3-pyridinyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100769324

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide (CID 100659626) is N-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide is CCOCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1.
What is the InChIKey of N-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide?
The InChIKey is NDZDHTMIAFXMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-2-28-15-16-29-20-11-7-18(8-12-20)23-21(25)22(13-3-4-14-22)17-5-9-19(10-6-17)24(26)27/h5-12H,2-4,13-16H2,1H3,(H,23,25).
What are the key properties of N-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide?
N-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100659626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).