propan-2-yl 5-(2-acetamidoethoxy)-2-aminobenzoate

C14H20N2O4 — CID 63998960

IUPACpropan-2-yl 5-(2-acetamidoethoxy)-2-aminobenzoate
SMILESCC(=O)NCCOc1ccc(N)c(C(=O)OC(C)C)c1
InChIInChI=1S/C14H20N2O4/c1-9(2)20-14(18)12-8-11(4-5-13(12)15)19-7-6-16-10(3)17/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyOKEQKAYNMQTMAN-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.35
Rot. Bonds6

About propan-2-yl 5-(2-acetamidoethoxy)-2-aminobenzoate

propan-2-yl 5-(2-acetamidoethoxy)-2-aminobenzoate (PubChem CID 63998960) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is propan-2-yl 5-(2-acetamidoethoxy)-2-aminobenzoate.

Molecular Properties

Compound Namepropan-2-yl 5-(2-acetamidoethoxy)-2-aminobenzoate
PubChem CID63998960
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namepropan-2-yl 5-(2-acetamidoethoxy)-2-aminobenzoate
SMILESCC(=O)NCCOc1ccc(N)c(C(=O)OC(C)C)c1
InChIInChI=1S/C14H20N2O4/c1-9(2)20-14(18)12-8-11(4-5-13(12)15)19-7-6-16-10(3)17/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyOKEQKAYNMQTMAN-UHFFFAOYSA-N
XLogP1.35
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-amino-5-(2,2-difluoroethoxy)benzoate
CID 79778503
1-[2-amino-5-(3-methylbutoxy)phenyl]ethanone
CID 104613220
ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate
CID 61307579
methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate
CID 115505666
N-[2-(4-bromo-3-methylphenoxy)ethyl]acetamide
CID 163375220
ethyl 2-amino-5-(3-methylbutoxy)benzoate
CID 61307572
N-[2-(3,4-dichlorophenoxy)ethyl]acetamide
CID 51066305
methyl 2-amino-5-propan-2-yloxybenzoate
CID 13052308
4-(2-acetamidoethoxy)-2-fluorobenzoic acid
CID 107675500
N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide
CID 39384704
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate
CID 61320723
4-(4-amino-3-methoxycarbonylphenoxy)butanoic acid;2,2,2-trifluoroacetic acid
CID 170357258

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-(2-acetamidoethoxy)-2-aminobenzoate?
The IUPAC name of propan-2-yl 5-(2-acetamidoethoxy)-2-aminobenzoate (CID 63998960) is propan-2-yl 5-(2-acetamidoethoxy)-2-aminobenzoate.
What is the SMILES notation for propan-2-yl 5-(2-acetamidoethoxy)-2-aminobenzoate?
The canonical SMILES for propan-2-yl 5-(2-acetamidoethoxy)-2-aminobenzoate is CC(=O)NCCOc1ccc(N)c(C(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl 5-(2-acetamidoethoxy)-2-aminobenzoate?
The InChIKey is OKEQKAYNMQTMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)20-14(18)12-8-11(4-5-13(12)15)19-7-6-16-10(3)17/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,17).
What are the key properties of propan-2-yl 5-(2-acetamidoethoxy)-2-aminobenzoate?
propan-2-yl 5-(2-acetamidoethoxy)-2-aminobenzoate has a molecular weight of 280.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-(2-acetamidoethoxy)-2-aminobenzoate is sourced from PubChem (CID 63998960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).