N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide

C25H26N2O3 — CID 54826701

IUPACN-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide
SMILESC=C(C)COc1ccccc1NC(=O)CNc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-19(2)17-30-24-14-7-6-13-23(24)27-25(28)16-26-21-11-8-12-22(15-21)29-18-20-9-4-3-5-10-20/h3-15,26H,1,16-18H2,2H3,(H,27,28)
InChIKeyPQBZSSVZJFDHRV-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.27
Rot. Bonds10

About N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide

N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide (PubChem CID 54826701) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide
PubChem CID54826701
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide
SMILESC=C(C)COc1ccccc1NC(=O)CNc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-19(2)17-30-24-14-7-6-13-23(24)27-25(28)16-26-21-11-8-12-22(15-21)29-18-20-9-4-3-5-10-20/h3-15,26H,1,16-18H2,2H3,(H,27,28)
InChIKeyPQBZSSVZJFDHRV-UHFFFAOYSA-N
XLogP5.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide
CID 54825790
N-(2-phenylmethoxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826275
2-(3-acetamidoanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54831747
N-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843216
2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54826186
N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825963
2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54823573
N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823642
2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54826045
N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825731
2,2-dimethyl-N-[3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]phenyl]propanamide
CID 54835482
N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826536

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide (CID 54826701) is N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide is C=C(C)COc1ccccc1NC(=O)CNc1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide?
The InChIKey is PQBZSSVZJFDHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-19(2)17-30-24-14-7-6-13-23(24)27-25(28)16-26-21-11-8-12-22(15-21)29-18-20-9-4-3-5-10-20/h3-15,26H,1,16-18H2,2H3,(H,27,28).
What are the key properties of N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide?
N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide has a molecular weight of 402.49 g/mol, XLogP of 5.27, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide is sourced from PubChem (CID 54826701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).