N-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide

C25H35NO3 — CID 19174747

IUPACN-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
SMILESCc1ccc(OCCNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1
InChIInChI=1S/C25H35NO3/c1-19-7-11-21(12-8-19)28-16-15-26-23(27)17-29-22-13-9-20(10-14-22)25(5,6)18-24(2,3)4/h7-14H,15-18H2,1-6H3,(H,26,27)
InChIKeyKDKAHDPIJAKYKF-UHFFFAOYSA-N
MW397.56 g/mol
LogP5.28
Rot. Bonds9

About N-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide

N-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide (PubChem CID 19174747) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
PubChem CID19174747
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
SMILESCc1ccc(OCCNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1
InChIInChI=1S/C25H35NO3/c1-19-7-11-21(12-8-19)28-16-15-26-23(27)17-29-22-13-9-20(10-14-22)25(5,6)18-24(2,3)4/h7-14H,15-18H2,1-6H3,(H,26,27)
InChIKeyKDKAHDPIJAKYKF-UHFFFAOYSA-N
XLogP5.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide
CID 113090463
2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101131
1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-one
CID 43411675
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 46761744
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 43021745
2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 110407721
ethyl 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetate
CID 17065223
N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19174758
2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101573
2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 621407

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide (CID 19174747) is N-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide is Cc1ccc(OCCNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
The InChIKey is KDKAHDPIJAKYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO3/c1-19-7-11-21(12-8-19)28-16-15-26-23(27)17-29-22-13-9-20(10-14-22)25(5,6)18-24(2,3)4/h7-14H,15-18H2,1-6H3,(H,26,27).
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
N-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide has a molecular weight of 397.56 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 19174747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).