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

C21H26N2O3 — CID 54824311

IUPAC2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide
SMILESC=C(C)COc1ccc(NCC(=O)Nc2cccc(OCCC)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-4-12-25-20-7-5-6-18(13-20)23-21(24)14-22-17-8-10-19(11-9-17)26-15-16(2)3/h5-11,13,22H,2,4,12,14-15H2,1,3H3,(H,23,24)
InChIKeyNXCUCHXJNUIULL-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.48
Rot. Bonds10

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

2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide (PubChem CID 54824311) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide
PubChem CID54824311
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide
SMILESC=C(C)COc1ccc(NCC(=O)Nc2cccc(OCCC)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-4-12-25-20-7-5-6-18(13-20)23-21(24)14-22-17-8-10-19(11-9-17)26-15-16(2)3/h5-11,13,22H,2,4,12,14-15H2,1,3H3,(H,23,24)
InChIKeyNXCUCHXJNUIULL-UHFFFAOYSA-N
XLogP4.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.48
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-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
CID 54824758
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825836
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide
CID 54824578
propyl 4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54812800
N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820051
2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54821314
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
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557
N-(3-acetamidophenyl)-2-(4-propoxyanilino)acetamide
CID 54822822

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide?
The IUPAC name of 2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide (CID 54824311) is 2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide is C=C(C)COc1ccc(NCC(=O)Nc2cccc(OCCC)c2)cc1.
What is the InChIKey of 2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide?
The InChIKey is NXCUCHXJNUIULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-12-25-20-7-5-6-18(13-20)23-21(24)14-22-17-8-10-19(11-9-17)26-15-16(2)3/h5-11,13,22H,2,4,12,14-15H2,1,3H3,(H,23,24).
What are the key properties of 2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide?
2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 4.48, 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-propoxyphenyl)acetamide is sourced from PubChem (CID 54824311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).