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

C16H24N2O3 — CID 54825892

IUPACN-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
SMILESC=C(C)COc1ccccc1NCC(=O)NCCCOC
InChIInChI=1S/C16H24N2O3/c1-13(2)12-21-15-8-5-4-7-14(15)18-11-16(19)17-9-6-10-20-3/h4-5,7-8,18H,1,6,9-12H2,2-3H3,(H,17,19)
InChIKeyVWAVBWVOLVMYHK-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.21
Rot. Bonds10

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

N-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide (PubChem CID 54825892) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
PubChem CID54825892
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
SMILESC=C(C)COc1ccccc1NCC(=O)NCCCOC
InChIInChI=1S/C16H24N2O3/c1-13(2)12-21-15-8-5-4-7-14(15)18-11-16(19)17-9-6-10-20-3/h4-5,7-8,18H,1,6,9-12H2,2-3H3,(H,17,19)
InChIKeyVWAVBWVOLVMYHK-UHFFFAOYSA-N
XLogP2.21
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.21
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

N-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825887
N-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide
CID 54824114
N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
N-(2-chlorophenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825885
N-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54835975
2-[2-(2-ethoxyethoxy)anilino]-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54827379
N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825918
2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60626030
2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylethyl)acetamide
CID 54825753
2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810416
ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate
CID 108994192
2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide
CID 54825790

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide (CID 54825892) is N-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide is C=C(C)COc1ccccc1NCC(=O)NCCCOC.
What is the InChIKey of N-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide?
The InChIKey is VWAVBWVOLVMYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13(2)12-21-15-8-5-4-7-14(15)18-11-16(19)17-9-6-10-20-3/h4-5,7-8,18H,1,6,9-12H2,2-3H3,(H,17,19).
What are the key properties of N-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide?
N-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide has a molecular weight of 292.38 g/mol, XLogP of 2.21, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide is sourced from PubChem (CID 54825892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).