2-[2,4-bis(2-methylheptan-2-yl)phenoxy]-N-(5-ethyl-3-hydroxy-2-pyridinyl)octanamide

C37H60N2O3 — CID 23129318

IUPAC2-[2,4-bis(2-methylheptan-2-yl)phenoxy]-N-(5-ethyl-3-hydroxy-2-pyridinyl)octanamide
SMILESCCCCCCC(Oc1ccc(C(C)(C)CCCCC)cc1C(C)(C)CCCCC)C(=O)Nc1ncc(CC)cc1O
InChIInChI=1S/C37H60N2O3/c1-9-13-16-17-20-33(35(41)39-34-31(40)25-28(12-4)27-38-34)42-32-22-21-29(36(5,6)23-18-14-10-2)26-30(32)37(7,8)24-19-15-11-3/h21-22,25-27,33,40H,9-20,23-24H2,1-8H3,(H,38,39,41)
InChIKeyFPBLAHZFZBTCNO-UHFFFAOYSA-N
MW580.90 g/mol
LogP10.42
Rot. Bonds20

About 2-[2,4-bis(2-methylheptan-2-yl)phenoxy]-N-(5-ethyl-3-hydroxy-2-pyridinyl)octanamide

2-[2,4-bis(2-methylheptan-2-yl)phenoxy]-N-(5-ethyl-3-hydroxy-2-pyridinyl)octanamide (PubChem CID 23129318) has the molecular formula C37H60N2O3 and a molecular weight of 580.90 g/mol. Its IUPAC name is 2-[2,4-bis(2-methylheptan-2-yl)phenoxy]-N-(5-ethyl-3-hydroxy-2-pyridinyl)octanamide.

Molecular Properties

Compound Name2-[2,4-bis(2-methylheptan-2-yl)phenoxy]-N-(5-ethyl-3-hydroxy-2-pyridinyl)octanamide
PubChem CID23129318
Molecular FormulaC37H60N2O3
Molecular Weight580.90 g/mol
Exact Mass580.46
IUPAC Name2-[2,4-bis(2-methylheptan-2-yl)phenoxy]-N-(5-ethyl-3-hydroxy-2-pyridinyl)octanamide
SMILESCCCCCCC(Oc1ccc(C(C)(C)CCCCC)cc1C(C)(C)CCCCC)C(=O)Nc1ncc(CC)cc1O
InChIInChI=1S/C37H60N2O3/c1-9-13-16-17-20-33(35(41)39-34-31(40)25-28(12-4)27-38-34)42-32-22-21-29(36(5,6)23-18-14-10-2)26-30(32)37(7,8)24-19-15-11-3/h21-22,25-27,33,40H,9-20,23-24H2,1-8H3,(H,38,39,41)
InChIKeyFPBLAHZFZBTCNO-UHFFFAOYSA-N
XLogP10.42
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.90
LogP ≤ 510.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2,4-bis(2-methylheptan-2-yl)phenoxy]-N-(5-ethyl-3-hydroxy-2-pyridinyl)octanamide with MolForge

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Launch Full Analysis

Related Compounds

bis[2,4-bis(2-methylheptan-2-yl)phenyl] carbonate
CID 141011315
methyl 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoate
CID 54082912
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(4-cyanophenyl)carbamoylamino]-2-(4-ethylphenoxy)-5-hydroxyphenyl]hexanamide
CID 22955856
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(4-fluorophenyl)carbamoylamino]-3-hydroxyphenyl]hexanamide
CID 14029125
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide
CID 14670499
N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide
CID 59961227
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(3-cyanophenyl)carbamoylamino]-3-hydroxyphenyl]hexanamide
CID 3342010
2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895
N-[4-acetyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide
CID 59837158
N-(3-amino-4-hydroxyphenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-hydroxyhexanamide
CID 57203285
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 58676311
1-ethyl-4-(2-methylheptan-2-yl)benzene
CID 54310984

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(2-methylheptan-2-yl)phenoxy]-N-(5-ethyl-3-hydroxy-2-pyridinyl)octanamide?
The IUPAC name of 2-[2,4-bis(2-methylheptan-2-yl)phenoxy]-N-(5-ethyl-3-hydroxy-2-pyridinyl)octanamide (CID 23129318) is 2-[2,4-bis(2-methylheptan-2-yl)phenoxy]-N-(5-ethyl-3-hydroxy-2-pyridinyl)octanamide.
What is the SMILES notation for 2-[2,4-bis(2-methylheptan-2-yl)phenoxy]-N-(5-ethyl-3-hydroxy-2-pyridinyl)octanamide?
The canonical SMILES for 2-[2,4-bis(2-methylheptan-2-yl)phenoxy]-N-(5-ethyl-3-hydroxy-2-pyridinyl)octanamide is CCCCCCC(Oc1ccc(C(C)(C)CCCCC)cc1C(C)(C)CCCCC)C(=O)Nc1ncc(CC)cc1O.
What is the InChIKey of 2-[2,4-bis(2-methylheptan-2-yl)phenoxy]-N-(5-ethyl-3-hydroxy-2-pyridinyl)octanamide?
The InChIKey is FPBLAHZFZBTCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H60N2O3/c1-9-13-16-17-20-33(35(41)39-34-31(40)25-28(12-4)27-38-34)42-32-22-21-29(36(5,6)23-18-14-10-2)26-30(32)37(7,8)24-19-15-11-3/h21-22,25-27,33,40H,9-20,23-24H2,1-8H3,(H,38,39,41).
What are the key properties of 2-[2,4-bis(2-methylheptan-2-yl)phenoxy]-N-(5-ethyl-3-hydroxy-2-pyridinyl)octanamide?
2-[2,4-bis(2-methylheptan-2-yl)phenoxy]-N-(5-ethyl-3-hydroxy-2-pyridinyl)octanamide has a molecular weight of 580.90 g/mol, XLogP of 10.42, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(2-methylheptan-2-yl)phenoxy]-N-(5-ethyl-3-hydroxy-2-pyridinyl)octanamide is sourced from PubChem (CID 23129318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).