2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide

C15H22N2O3 — CID 82064208

IUPAC2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCC(C)C)c(N)c1
InChIInChI=1S/C15H22N2O3/c1-4-13(18)11-5-6-14(12(16)7-11)20-9-15(19)17-8-10(2)3/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeyWXDZDJREDPMFIE-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.01
Rot. Bonds7

About 2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide

2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide (PubChem CID 82064208) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide
PubChem CID82064208
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCC(C)C)c(N)c1
InChIInChI=1S/C15H22N2O3/c1-4-13(18)11-5-6-14(12(16)7-11)20-9-15(19)17-8-10(2)3/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeyWXDZDJREDPMFIE-UHFFFAOYSA-N
XLogP2.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide
CID 82064209
3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide
CID 82070196
2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
CID 61388717
3-amino-N-(2-methylpropyl)-4-propoxybenzamide
CID 82070281
2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 61388239
2-(4-acetyl-2-aminophenoxy)-N-propylacetamide
CID 82064189
1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one
CID 82064223
2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide
CID 82064320
3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
CID 82152739
4-bromo-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid
CID 114103812
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 63365039
bis[2-(2-methylpropylamino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7775398

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide (CID 82064208) is 2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide is CCC(=O)c1ccc(OCC(=O)NCC(C)C)c(N)c1.
What is the InChIKey of 2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide?
The InChIKey is WXDZDJREDPMFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-13(18)11-5-6-14(12(16)7-11)20-9-15(19)17-8-10(2)3/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide?
2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide has a molecular weight of 278.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 82064208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).