N-[4-[(5-chloro-3-pyridinyl)oxy]cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide

C26H35ClN2O3 — CID 175209525

IUPACN-[4-[(5-chloro-3-pyridinyl)oxy]cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)NC2CCC(Oc3cncc(Cl)c3)CC2)c1
InChIInChI=1S/C26H35ClN2O3/c1-18-6-7-19(2)24(14-18)31-13-5-12-26(3,4)25(30)29-21-8-10-22(11-9-21)32-23-15-20(27)16-28-17-23/h6-7,14-17,21-22H,5,8-13H2,1-4H3,(H,29,30)
InChIKeyDPBFUXOFBCOERH-UHFFFAOYSA-N
MW459.03 g/mol
LogP6.04
Rot. Bonds9

About N-[4-[(5-chloro-3-pyridinyl)oxy]cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide

N-[4-[(5-chloro-3-pyridinyl)oxy]cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide (PubChem CID 175209525) has the molecular formula C26H35ClN2O3 and a molecular weight of 459.03 g/mol. Its IUPAC name is N-[4-[(5-chloro-3-pyridinyl)oxy]cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-3-pyridinyl)oxy]cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
PubChem CID175209525
Molecular FormulaC26H35ClN2O3
Molecular Weight459.03 g/mol
Exact Mass458.23
IUPAC NameN-[4-[(5-chloro-3-pyridinyl)oxy]cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)NC2CCC(Oc3cncc(Cl)c3)CC2)c1
InChIInChI=1S/C26H35ClN2O3/c1-18-6-7-19(2)24(14-18)31-13-5-12-26(3,4)25(30)29-21-8-10-22(11-9-21)32-23-15-20(27)16-28-17-23/h6-7,14-17,21-22H,5,8-13H2,1-4H3,(H,29,30)
InChIKeyDPBFUXOFBCOERH-UHFFFAOYSA-N
XLogP6.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.03
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[(5-chloro-3-pyridinyl)oxy]cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 151616456
N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 142458019
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)pentanamide;4-fluorobenzaldehyde
CID 142457626
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-methylphenyl)pentanamide
CID 54783593
N-(3-chlorophenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783647
5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide
CID 54783886
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide
CID 54783506
N-(5-amino-2-methylphenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54855799
N-[1-[3,4-bis(ethenyl)benzoyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 142457535
5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide
CID 54783531
N-(4-bromophenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783495
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide
CID 142457488

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-3-pyridinyl)oxy]cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
The IUPAC name of N-[4-[(5-chloro-3-pyridinyl)oxy]cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide (CID 175209525) is N-[4-[(5-chloro-3-pyridinyl)oxy]cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide.
What is the SMILES notation for N-[4-[(5-chloro-3-pyridinyl)oxy]cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
The canonical SMILES for N-[4-[(5-chloro-3-pyridinyl)oxy]cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide is Cc1ccc(C)c(OCCCC(C)(C)C(=O)NC2CCC(Oc3cncc(Cl)c3)CC2)c1.
What is the InChIKey of N-[4-[(5-chloro-3-pyridinyl)oxy]cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
The InChIKey is DPBFUXOFBCOERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN2O3/c1-18-6-7-19(2)24(14-18)31-13-5-12-26(3,4)25(30)29-21-8-10-22(11-9-21)32-23-15-20(27)16-28-17-23/h6-7,14-17,21-22H,5,8-13H2,1-4H3,(H,29,30).
What are the key properties of N-[4-[(5-chloro-3-pyridinyl)oxy]cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
N-[4-[(5-chloro-3-pyridinyl)oxy]cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide has a molecular weight of 459.03 g/mol, XLogP of 6.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-3-pyridinyl)oxy]cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide is sourced from PubChem (CID 175209525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).