2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylpropyl)acetamide

C21H26N2O2 — CID 54825728

IUPAC2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylpropyl)acetamide
SMILESC=C(C)COc1ccccc1NCC(=O)NC(CC)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-4-18(17-10-6-5-7-11-17)23-21(24)14-22-19-12-8-9-13-20(19)25-15-16(2)3/h5-13,18,22H,2,4,14-15H2,1,3H3,(H,23,24)
InChIKeyJZPXJGLPBKVIOT-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.32
Rot. Bonds9

About 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylpropyl)acetamide

2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylpropyl)acetamide (PubChem CID 54825728) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylpropyl)acetamide
PubChem CID54825728
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylpropyl)acetamide
SMILESC=C(C)COc1ccccc1NCC(=O)NC(CC)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-4-18(17-10-6-5-7-11-17)23-21(24)14-22-19-12-8-9-13-20(19)25-15-16(2)3/h5-13,18,22H,2,4,14-15H2,1,3H3,(H,23,24)
InChIKeyJZPXJGLPBKVIOT-UHFFFAOYSA-N
XLogP4.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylethyl)acetamide
CID 54825753
N-(1-phenylpropyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54831184
N-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825887
N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide
CID 54825790
N-(2-chlorophenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825885
2-[2-(2-ethoxyethoxy)anilino]-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54827379
3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54825993
2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810416
2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide
CID 54815882
N-ethyl-2-[2-(2-methylprop-2-enoxy)anilino]-N-phenylacetamide
CID 54826257
N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825918

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylpropyl)acetamide (CID 54825728) is 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylpropyl)acetamide is C=C(C)COc1ccccc1NCC(=O)NC(CC)c1ccccc1.
What is the InChIKey of 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylpropyl)acetamide?
The InChIKey is JZPXJGLPBKVIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-18(17-10-6-5-7-11-17)23-21(24)14-22-19-12-8-9-13-20(19)25-15-16(2)3/h5-13,18,22H,2,4,14-15H2,1,3H3,(H,23,24).
What are the key properties of 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylpropyl)acetamide?
2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylpropyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylpropyl)acetamide is sourced from PubChem (CID 54825728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).