2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide

C15H22N2O2 — CID 54823925

IUPAC2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNc1cccc(OCC(C)C)c1
InChIInChI=1S/C15H22N2O2/c1-4-8-16-15(18)10-17-13-6-5-7-14(9-13)19-11-12(2)3/h4-7,9,12,17H,1,8,10-11H2,2-3H3,(H,16,18)
InChIKeyFQTPVWKBNKZJLK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.44
Rot. Bonds8

About 2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide

2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide (PubChem CID 54823925) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide
PubChem CID54823925
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNc1cccc(OCC(C)C)c1
InChIInChI=1S/C15H22N2O2/c1-4-8-16-15(18)10-17-13-6-5-7-14(9-13)19-11-12(2)3/h4-7,9,12,17H,1,8,10-11H2,2-3H3,(H,16,18)
InChIKeyFQTPVWKBNKZJLK-UHFFFAOYSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.44
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-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide
CID 54826667
N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 54818464
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide
CID 54826343
2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide
CID 54831655
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
2-(3-acetamidoanilino)-N-prop-2-enylacetamide
CID 54831608
2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide
CID 54823859
2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830634
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823168

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide (CID 54823925) is 2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide is C=CCNC(=O)CNc1cccc(OCC(C)C)c1.
What is the InChIKey of 2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide?
The InChIKey is FQTPVWKBNKZJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-8-16-15(18)10-17-13-6-5-7-14(9-13)19-11-12(2)3/h4-7,9,12,17H,1,8,10-11H2,2-3H3,(H,16,18).
What are the key properties of 2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide?
2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide has a molecular weight of 262.35 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide is sourced from PubChem (CID 54823925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).