butyl 2-(3-acetamidoanilino)acetate

C14H20N2O3 — CID 54917754

IUPACbutyl 2-(3-acetamidoanilino)acetate
SMILESCCCCOC(=O)CNc1cccc(NC(C)=O)c1
InChIInChI=1S/C14H20N2O3/c1-3-4-8-19-14(18)10-15-12-6-5-7-13(9-12)16-11(2)17/h5-7,9,15H,3-4,8,10H2,1-2H3,(H,16,17)
InChIKeyMFHGMWHQFKMGJQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.40
Rot. Bonds7

About butyl 2-(3-acetamidoanilino)acetate

butyl 2-(3-acetamidoanilino)acetate (PubChem CID 54917754) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is butyl 2-(3-acetamidoanilino)acetate.

Molecular Properties

Compound Namebutyl 2-(3-acetamidoanilino)acetate
PubChem CID54917754
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebutyl 2-(3-acetamidoanilino)acetate
SMILESCCCCOC(=O)CNc1cccc(NC(C)=O)c1
InChIInChI=1S/C14H20N2O3/c1-3-4-8-19-14(18)10-15-12-6-5-7-13(9-12)16-11(2)17/h5-7,9,15H,3-4,8,10H2,1-2H3,(H,16,17)
InChIKeyMFHGMWHQFKMGJQ-UHFFFAOYSA-N
XLogP2.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-(3-acetamidophenoxy)acetate
CID 54941709
octyl 2-(3-chloroanilino)acetate
CID 63541877
undecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate
CID 171978388
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
heptyl 2-anilinoacetate
CID 61302862
butyl 2-(3,4-difluoroanilino)acetate
CID 54917881
N-(3-acetamidophenyl)-2-(4-propoxyanilino)acetamide
CID 54822822
propyl 2-(3-chloroanilino)acetate
CID 60835010
N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842590
butyl 2-(3-chloro-4-fluoroanilino)acetate
CID 83109062
butyl 2-(3-bromo-4-fluoroanilino)acetate
CID 104777302
N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide
CID 54828105

Frequently Asked Questions

What is the IUPAC name of butyl 2-(3-acetamidoanilino)acetate?
The IUPAC name of butyl 2-(3-acetamidoanilino)acetate (CID 54917754) is butyl 2-(3-acetamidoanilino)acetate.
What is the SMILES notation for butyl 2-(3-acetamidoanilino)acetate?
The canonical SMILES for butyl 2-(3-acetamidoanilino)acetate is CCCCOC(=O)CNc1cccc(NC(C)=O)c1.
What is the InChIKey of butyl 2-(3-acetamidoanilino)acetate?
The InChIKey is MFHGMWHQFKMGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-4-8-19-14(18)10-15-12-6-5-7-13(9-12)16-11(2)17/h5-7,9,15H,3-4,8,10H2,1-2H3,(H,16,17).
What are the key properties of butyl 2-(3-acetamidoanilino)acetate?
butyl 2-(3-acetamidoanilino)acetate has a molecular weight of 264.32 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(3-acetamidoanilino)acetate is sourced from PubChem (CID 54917754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).