N-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide

C26H30N2O2 — CID 54826773

IUPACN-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CNc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C26H30N2O2/c1-3-22-15-9-11-20(2)26(22)28-25(29)19-27-23-16-7-8-17-24(23)30-18-10-14-21-12-5-4-6-13-21/h4-9,11-13,15-17,27H,3,10,14,18-19H2,1-2H3,(H,28,29)
InChIKeyTXIOZPGBAGAITH-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.62
Rot. Bonds10

About N-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide

N-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide (PubChem CID 54826773) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
PubChem CID54826773
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CNc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C26H30N2O2/c1-3-22-15-9-11-20(2)26(22)28-25(29)19-27-23-16-7-8-17-24(23)30-18-10-14-21-12-5-4-6-13-21/h4-9,11-13,15-17,27H,3,10,14,18-19H2,1-2H3,(H,28,29)
InChIKeyTXIOZPGBAGAITH-UHFFFAOYSA-N
XLogP5.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.62
H-Bond Donors ≤ 52
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-ethyl-6-methylphenyl)-2-(2-phenoxyanilino)acetamide
CID 9102660
2-methyl-N-[4-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827227
N-(2,6-dimethylphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827756
N-(2,6-diethylphenyl)-2-(2-ethoxyanilino)acetamide
CID 8965705
N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827070
N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54826855
N-(3,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827069
N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 19173293
3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54826779
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
N-(3-hexoxyphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827137
N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54826893

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide (CID 54826773) is N-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide is CCc1cccc(C)c1NC(=O)CNc1ccccc1OCCCc1ccccc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide?
The InChIKey is TXIOZPGBAGAITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-3-22-15-9-11-20(2)26(22)28-25(29)19-27-23-16-7-8-17-24(23)30-18-10-14-21-12-5-4-6-13-21/h4-9,11-13,15-17,27H,3,10,14,18-19H2,1-2H3,(H,28,29).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide has a molecular weight of 402.54 g/mol, XLogP of 5.62, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide is sourced from PubChem (CID 54826773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).