2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide

C26H30N2O3 — CID 54827333

IUPAC2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CNc1cccc(OCCCc2ccccc2)c1
InChIInChI=1S/C26H30N2O3/c1-20(2)31-25-16-7-6-15-24(25)28-26(29)19-27-22-13-8-14-23(18-22)30-17-9-12-21-10-4-3-5-11-21/h3-8,10-11,13-16,18,20,27H,9,12,17,19H2,1-2H3,(H,28,29)
InChIKeyFZFRQBSEKIZUHN-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.54
Rot. Bonds11

About 2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide

2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 54827333) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID54827333
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CNc1cccc(OCCCc2ccccc2)c1
InChIInChI=1S/C26H30N2O3/c1-20(2)31-25-16-7-6-15-24(25)28-26(29)19-27-22-13-8-14-23(18-22)30-17-9-12-21-10-4-3-5-11-21/h3-8,10-11,13-16,18,20,27H,9,12,17,19H2,1-2H3,(H,28,29)
InChIKeyFZFRQBSEKIZUHN-UHFFFAOYSA-N
XLogP5.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54826045
2-methyl-N-[3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54831793
2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54810854
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827369
2-[2-(2-phenoxyethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54827093
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
CID 54828312
2-(3-fluoroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 39426142
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54827335
N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826111
2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54820471
2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54823573

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide (CID 54827333) is 2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccccc1NC(=O)CNc1cccc(OCCCc2ccccc2)c1.
What is the InChIKey of 2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is FZFRQBSEKIZUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-20(2)31-25-16-7-6-15-24(25)28-26(29)19-27-22-13-8-14-23(18-22)30-17-9-12-21-10-4-3-5-11-21/h3-8,10-11,13-16,18,20,27H,9,12,17,19H2,1-2H3,(H,28,29).
What are the key properties of 2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide?
2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 418.54 g/mol, XLogP of 5.54, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 54827333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).