2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide

C21H24N2O3 — CID 4928581

IUPAC2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)C(CC)Oc1cccc(C)c1
InChIInChI=1S/C21H24N2O3/c1-4-13-22-20(24)17-11-6-7-12-18(17)23-21(25)19(5-2)26-16-10-8-9-15(3)14-16/h4,6-12,14,19H,1,5,13H2,2-3H3,(H,22,24)(H,23,25)
InChIKeyZDKBLIIPZWDQEC-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.71
Rot. Bonds8

About 2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide

2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide (PubChem CID 4928581) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide
PubChem CID4928581
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)C(CC)Oc1cccc(C)c1
InChIInChI=1S/C21H24N2O3/c1-4-13-22-20(24)17-11-6-7-12-18(17)23-21(25)19(5-2)26-16-10-8-9-15(3)14-16/h4,6-12,14,19H,1,5,13H2,2-3H3,(H,22,24)(H,23,25)
InChIKeyZDKBLIIPZWDQEC-UHFFFAOYSA-N
XLogP3.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.71
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-[[(2S)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-prop-2-enylbenzamide
CID 94019550
N-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide
CID 133201842
ethyl 2-[[(2S)-2-(3-methylphenoxy)butanoyl]amino]benzoate
CID 92676557
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 41177788
2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide
CID 4928355
2-(3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 4928588
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 92947905
2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 43909267
(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 28573798
N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
CID 132657473
N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
CID 132657650
2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 99133293

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide (CID 4928581) is 2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)C(CC)Oc1cccc(C)c1.
What is the InChIKey of 2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide?
The InChIKey is ZDKBLIIPZWDQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-4-13-22-20(24)17-11-6-7-12-18(17)23-21(25)19(5-2)26-16-10-8-9-15(3)14-16/h4,6-12,14,19H,1,5,13H2,2-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide?
2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide has a molecular weight of 352.43 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 4928581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).