N-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide

C16H24N2O2 — CID 54825887

IUPACN-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
SMILESC=C(C)COc1ccccc1NCC(=O)NCCCC
InChIInChI=1S/C16H24N2O2/c1-4-5-10-17-16(19)11-18-14-8-6-7-9-15(14)20-12-13(2)3/h6-9,18H,2,4-5,10-12H2,1,3H3,(H,17,19)
InChIKeyLPDSURRCOYOMOF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.97
Rot. Bonds9

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

N-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide (PubChem CID 54825887) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
PubChem CID54825887
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
SMILESC=C(C)COc1ccccc1NCC(=O)NCCCC
InChIInChI=1S/C16H24N2O2/c1-4-5-10-17-16(19)11-18-14-8-6-7-9-15(14)20-12-13(2)3/h6-9,18H,2,4-5,10-12H2,1,3H3,(H,17,19)
InChIKeyLPDSURRCOYOMOF-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825892
N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
2-(2-butoxyanilino)-N-ethylacetamide
CID 54828166
N-(2-chlorophenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825885
N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825918
2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylpropyl)acetamide
CID 54825728
2-[2-(2-ethoxyethoxy)anilino]-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54827379
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
2-(4-heptoxyanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54821930
2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide
CID 54825790
2-(2-ethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54817171

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide?
The IUPAC name of N-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide (CID 54825887) is N-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide.
What is the SMILES notation for N-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide?
The canonical SMILES for N-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide is C=C(C)COc1ccccc1NCC(=O)NCCCC.
What is the InChIKey of N-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide?
The InChIKey is LPDSURRCOYOMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-5-10-17-16(19)11-18-14-8-6-7-9-15(14)20-12-13(2)3/h6-9,18H,2,4-5,10-12H2,1,3H3,(H,17,19).
What are the key properties of N-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide?
N-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide is sourced from PubChem (CID 54825887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).