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

C19H22N2O3 — CID 54824578

IUPACN-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide
SMILESC=C(C)COc1ccc(NCC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-14(2)13-24-17-9-7-15(8-10-17)20-12-19(22)21-16-5-4-6-18(11-16)23-3/h4-11,20H,1,12-13H2,2-3H3,(H,21,22)
InChIKeyVGEMCYUARCWTML-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.70
Rot. Bonds8

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

N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide (PubChem CID 54824578) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide
PubChem CID54824578
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide
SMILESC=C(C)COc1ccc(NCC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-14(2)13-24-17-9-7-15(8-10-17)20-12-19(22)21-16-5-4-6-18(11-16)23-3/h4-11,20H,1,12-13H2,2-3H3,(H,21,22)
InChIKeyVGEMCYUARCWTML-UHFFFAOYSA-N
XLogP3.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.70
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

2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
N-(3-methoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825899
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
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
2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54814050
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583
N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
CID 39453688

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide (CID 54824578) is N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide is C=C(C)COc1ccc(NCC(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide?
The InChIKey is VGEMCYUARCWTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(2)13-24-17-9-7-15(8-10-17)20-12-19(22)21-16-5-4-6-18(11-16)23-3/h4-11,20H,1,12-13H2,2-3H3,(H,21,22).
What are the key properties of N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide?
N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide has a molecular weight of 326.40 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide is sourced from PubChem (CID 54824578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).