3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid

C18H20N2O4 — CID 74349721

IUPAC3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid
SMILESNC(CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(=O)O
InChIInChI=1S/C18H20N2O4/c19-13(12-18(22)23)6-11-17(21)20-14-7-9-16(10-8-14)24-15-4-2-1-3-5-15/h1-5,7-10,13H,6,11-12,19H2,(H,20,21)(H,22,23)
InChIKeyYAELJSOADOXCDL-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.00
Rot. Bonds8

About 3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid

3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid (PubChem CID 74349721) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid.

Molecular Properties

Compound Name3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid
PubChem CID74349721
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid
SMILESNC(CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(=O)O
InChIInChI=1S/C18H20N2O4/c19-13(12-18(22)23)6-11-17(21)20-14-7-9-16(10-8-14)24-15-4-2-1-3-5-15/h1-5,7-10,13H,6,11-12,19H2,(H,20,21)(H,22,23)
InChIKeyYAELJSOADOXCDL-UHFFFAOYSA-N
XLogP3.00
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-diamino-N-(4-phenoxyphenyl)pentanamide
CID 74349728
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
5-chloro-N-(4-phenoxyphenyl)pentanamide
CID 28971507
(2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide
CID 24901626
[2-oxo-2-(4-phenoxyanilino)ethyl] 3-benzamidobutanoate
CID 55379808
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-phenoxyphenyl)acetamide
CID 9049215
5-[4-(4-aminophenoxy)anilino]-5-oxopentanoic acid
CID 18877669
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
[7-oxo-7-(4-phenoxyanilino)heptyl]boronic acid
CID 42637224
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 43841950

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid?
The IUPAC name of 3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid (CID 74349721) is 3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid.
What is the SMILES notation for 3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid?
The canonical SMILES for 3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid is NC(CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(=O)O.
What is the InChIKey of 3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid?
The InChIKey is YAELJSOADOXCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c19-13(12-18(22)23)6-11-17(21)20-14-7-9-16(10-8-14)24-15-4-2-1-3-5-15/h1-5,7-10,13H,6,11-12,19H2,(H,20,21)(H,22,23).
What are the key properties of 3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid?
3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid has a molecular weight of 328.37 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid is sourced from PubChem (CID 74349721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).