2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide

C22H26N2O3 — CID 54824411

IUPAC2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1ccc(NCC(=O)Nc2cccc(OCC(=C)C)c2)cc1
InChIInChI=1S/C22H26N2O3/c1-16(2)14-26-20-10-8-18(9-11-20)23-13-22(25)24-19-6-5-7-21(12-19)27-15-17(3)4/h5-12,23H,1,3,13-15H2,2,4H3,(H,24,25)
InChIKeyTVFNMBLDZVYJFQ-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.65
Rot. Bonds10

About 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide

2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide (PubChem CID 54824411) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
PubChem CID54824411
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1ccc(NCC(=O)Nc2cccc(OCC(=C)C)c2)cc1
InChIInChI=1S/C22H26N2O3/c1-16(2)14-26-20-10-8-18(9-11-20)23-13-22(25)24-19-6-5-7-21(12-19)27-15-17(3)4/h5-12,23H,1,3,13-15H2,2,4H3,(H,24,25)
InChIKeyTVFNMBLDZVYJFQ-UHFFFAOYSA-N
XLogP4.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide
CID 54824578
2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54824311
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822286
2-(4-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810204
N-(3-methoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825899
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557
N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825836
2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54809113
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
CID 54824758
propyl 4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54812800
N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838448
N-[3-[[2-[4-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54824284

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide (CID 54824411) is 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide is C=C(C)COc1ccc(NCC(=O)Nc2cccc(OCC(=C)C)c2)cc1.
What is the InChIKey of 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The InChIKey is TVFNMBLDZVYJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(2)14-26-20-10-8-18(9-11-20)23-13-22(25)24-19-6-5-7-21(12-19)27-15-17(3)4/h5-12,23H,1,3,13-15H2,2,4H3,(H,24,25).
What are the key properties of 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 4.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide is sourced from PubChem (CID 54824411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).