2-(3-ethylphenoxy)-N-[4-[4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide

C34H36N2O4 — CID 43912216

IUPAC2-(3-ethylphenoxy)-N-[4-[4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
SMILESCCc1cccc(OCC(=O)Nc2ccc(-c3ccc(NC(=O)COc4cccc(CC)c4)c(C)c3)cc2C)c1
InChIInChI=1S/C34H36N2O4/c1-5-25-9-7-11-29(19-25)39-21-33(37)35-31-15-13-27(17-23(31)3)28-14-16-32(24(4)18-28)36-34(38)22-40-30-12-8-10-26(6-2)20-30/h7-20H,5-6,21-22H2,1-4H3,(H,35,37)(H,36,38)
InChIKeySNYOXKYQVWBEPA-UHFFFAOYSA-N
MW536.67 g/mol
LogP7.13
Rot. Bonds11

About 2-(3-ethylphenoxy)-N-[4-[4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide

2-(3-ethylphenoxy)-N-[4-[4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide (PubChem CID 43912216) has the molecular formula C34H36N2O4 and a molecular weight of 536.67 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-N-[4-[4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-N-[4-[4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
PubChem CID43912216
Molecular FormulaC34H36N2O4
Molecular Weight536.67 g/mol
Exact Mass536.27
IUPAC Name2-(3-ethylphenoxy)-N-[4-[4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
SMILESCCc1cccc(OCC(=O)Nc2ccc(-c3ccc(NC(=O)COc4cccc(CC)c4)c(C)c3)cc2C)c1
InChIInChI=1S/C34H36N2O4/c1-5-25-9-7-11-29(19-25)39-21-33(37)35-31-15-13-27(17-23(31)3)28-14-16-32(24(4)18-28)36-34(38)22-40-30-12-8-10-26(6-2)20-30/h7-20H,5-6,21-22H2,1-4H3,(H,35,37)(H,36,38)
InChIKeySNYOXKYQVWBEPA-UHFFFAOYSA-N
XLogP7.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-2-(3-ethylphenoxy)acetamide
CID 7751005
N-(2,4-difluorophenyl)-2-(3-ethylphenoxy)acetamide
CID 2711335
N-(2-tert-butylphenyl)-2-(3-ethylphenoxy)acetamide
CID 7920123
2-amino-N-[3-[[2-(3-ethylphenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 39192502
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661
2-(3-ethylphenoxy)-N-(4-hydroxyphenyl)acetamide
CID 51186827
N-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide
CID 82330971
N'-acetyl-2-(3-ethylphenoxy)acetohydrazide
CID 43011736
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979
dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711605
2-(3-aminophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 39107625

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-N-[4-[4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
The IUPAC name of 2-(3-ethylphenoxy)-N-[4-[4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide (CID 43912216) is 2-(3-ethylphenoxy)-N-[4-[4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(3-ethylphenoxy)-N-[4-[4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
The canonical SMILES for 2-(3-ethylphenoxy)-N-[4-[4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide is CCc1cccc(OCC(=O)Nc2ccc(-c3ccc(NC(=O)COc4cccc(CC)c4)c(C)c3)cc2C)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-N-[4-[4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
The InChIKey is SNYOXKYQVWBEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O4/c1-5-25-9-7-11-29(19-25)39-21-33(37)35-31-15-13-27(17-23(31)3)28-14-16-32(24(4)18-28)36-34(38)22-40-30-12-8-10-26(6-2)20-30/h7-20H,5-6,21-22H2,1-4H3,(H,35,37)(H,36,38).
What are the key properties of 2-(3-ethylphenoxy)-N-[4-[4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
2-(3-ethylphenoxy)-N-[4-[4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide has a molecular weight of 536.67 g/mol, XLogP of 7.13, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-N-[4-[4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide is sourced from PubChem (CID 43912216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).