4-methylpentan-2-yl 2-amino-6-ethoxybenzoate

C15H23NO3 — CID 81414693

IUPAC4-methylpentan-2-yl 2-amino-6-ethoxybenzoate
SMILESCCOc1cccc(N)c1C(=O)OC(C)CC(C)C
InChIInChI=1S/C15H23NO3/c1-5-18-13-8-6-7-12(16)14(13)15(17)19-11(4)9-10(2)3/h6-8,10-11H,5,9,16H2,1-4H3
InChIKeyBZPGZIADDXZQAO-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.26
Rot. Bonds6

About 4-methylpentan-2-yl 2-amino-6-ethoxybenzoate

4-methylpentan-2-yl 2-amino-6-ethoxybenzoate (PubChem CID 81414693) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-methylpentan-2-yl 2-amino-6-ethoxybenzoate.

Molecular Properties

Compound Name4-methylpentan-2-yl 2-amino-6-ethoxybenzoate
PubChem CID81414693
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-methylpentan-2-yl 2-amino-6-ethoxybenzoate
SMILESCCOc1cccc(N)c1C(=O)OC(C)CC(C)C
InChIInChI=1S/C15H23NO3/c1-5-18-13-8-6-7-12(16)14(13)15(17)19-11(4)9-10(2)3/h6-8,10-11H,5,9,16H2,1-4H3
InChIKeyBZPGZIADDXZQAO-UHFFFAOYSA-N
XLogP3.26
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methylbutan-2-yl 2-amino-6-ethoxybenzoate
CID 81414285
2-(2-amino-6-ethoxybenzoyl)oxypropanoic acid
CID 81413977
[1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate
CID 81414134
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-amino-6-ethoxybenzoate
CID 81396387
2-propan-2-ylsulfonylethyl 2-amino-6-ethoxybenzoate
CID 106728861
3,3-dimethylbutyl 2-amino-6-ethoxybenzoate
CID 81414040
[2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate
CID 81394370
2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656484
4-methylpentan-2-yl 2-aminobenzoate
CID 61278616
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
butan-2-yl 2-amino-6-fluorobenzoate
CID 60904386
[2-(2-cyanoethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate
CID 81396527

Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-2-yl 2-amino-6-ethoxybenzoate?
The IUPAC name of 4-methylpentan-2-yl 2-amino-6-ethoxybenzoate (CID 81414693) is 4-methylpentan-2-yl 2-amino-6-ethoxybenzoate.
What is the SMILES notation for 4-methylpentan-2-yl 2-amino-6-ethoxybenzoate?
The canonical SMILES for 4-methylpentan-2-yl 2-amino-6-ethoxybenzoate is CCOc1cccc(N)c1C(=O)OC(C)CC(C)C.
What is the InChIKey of 4-methylpentan-2-yl 2-amino-6-ethoxybenzoate?
The InChIKey is BZPGZIADDXZQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-18-13-8-6-7-12(16)14(13)15(17)19-11(4)9-10(2)3/h6-8,10-11H,5,9,16H2,1-4H3.
What are the key properties of 4-methylpentan-2-yl 2-amino-6-ethoxybenzoate?
4-methylpentan-2-yl 2-amino-6-ethoxybenzoate has a molecular weight of 265.35 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentan-2-yl 2-amino-6-ethoxybenzoate is sourced from PubChem (CID 81414693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).