2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide

C21H25N3O3 — CID 54831765

IUPAC2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide
SMILESC=CCOc1cccc(NC(=O)CNc2cccc(NC(=O)C(C)C)c2)c1
InChIInChI=1S/C21H25N3O3/c1-4-11-27-19-10-6-9-18(13-19)23-20(25)14-22-16-7-5-8-17(12-16)24-21(26)15(2)3/h4-10,12-13,15,22H,1,11,14H2,2-3H3,(H,23,25)(H,24,26)
InChIKeyALFYQVATDAKAMZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.90
Rot. Bonds9

About 2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide

2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide (PubChem CID 54831765) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide
PubChem CID54831765
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide
SMILESC=CCOc1cccc(NC(=O)CNc2cccc(NC(=O)C(C)C)c2)c1
InChIInChI=1S/C21H25N3O3/c1-4-11-27-19-10-6-9-18(13-19)23-20(25)14-22-16-7-5-8-17(12-16)24-21(26)15(2)3/h4-10,12-13,15,22H,1,11,14H2,2-3H3,(H,23,25)(H,24,26)
InChIKeyALFYQVATDAKAMZ-UHFFFAOYSA-N
XLogP3.90
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826616
N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
CID 54824851
N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830764
2-methyl-N-[3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54831793
N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826479
2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830634
N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide
CID 54826343
2-(3-acetamidoanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54831803
N-(4-bromophenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826542
2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide
CID 54831655
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568
2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54829963

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide (CID 54831765) is 2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide is C=CCOc1cccc(NC(=O)CNc2cccc(NC(=O)C(C)C)c2)c1.
What is the InChIKey of 2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide?
The InChIKey is ALFYQVATDAKAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-11-27-19-10-6-9-18(13-19)23-20(25)14-22-16-7-5-8-17(12-16)24-21(26)15(2)3/h4-10,12-13,15,22H,1,11,14H2,2-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide?
2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide has a molecular weight of 367.45 g/mol, XLogP of 3.90, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54831765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).