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

C22H28N2O3 — CID 54825836

IUPACN-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
SMILESC=C(C)COc1cccc(NCC(=O)Nc2ccc(OCCCC)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-4-5-13-26-20-11-9-18(10-12-20)24-22(25)15-23-19-7-6-8-21(14-19)27-16-17(2)3/h6-12,14,23H,2,4-5,13,15-16H2,1,3H3,(H,24,25)
InChIKeyJJPFYERZEXCHKW-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.87
Rot. Bonds11

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

N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide (PubChem CID 54825836) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
PubChem CID54825836
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
SMILESC=C(C)COc1cccc(NCC(=O)Nc2ccc(OCCCC)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-4-5-13-26-20-11-9-18(10-12-20)24-22(25)15-23-19-7-6-8-21(14-19)27-16-17(2)3/h6-12,14,23H,2,4-5,13,15-16H2,1,3H3,(H,24,25)
InChIKeyJJPFYERZEXCHKW-UHFFFAOYSA-N
XLogP4.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-propoxyphenyl)acetamide
CID 54824311
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-[3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide
CID 54841168
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557
N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 54814474
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951
N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide
CID 54824578

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide?
The IUPAC name of N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide (CID 54825836) is N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide?
The canonical SMILES for N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide is C=C(C)COc1cccc(NCC(=O)Nc2ccc(OCCCC)cc2)c1.
What is the InChIKey of N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide?
The InChIKey is JJPFYERZEXCHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-5-13-26-20-11-9-18(10-12-20)24-22(25)15-23-19-7-6-8-21(14-19)27-16-17(2)3/h6-12,14,23H,2,4-5,13,15-16H2,1,3H3,(H,24,25).
What are the key properties of N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide?
N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide has a molecular weight of 368.48 g/mol, XLogP of 4.87, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide is sourced from PubChem (CID 54825836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).