5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid

C18H19NO4 — CID 4566654

IUPAC5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H19NO4/c20-17(7-4-8-18(21)22)19-15-9-11-16(12-10-15)23-13-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2,(H,19,20)(H,21,22)
InChIKeyQHWQEQFCGHLBRH-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.46
Rot. Bonds8

About 5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid

5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid (PubChem CID 4566654) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid
PubChem CID4566654
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H19NO4/c20-17(7-4-8-18(21)22)19-15-9-11-16(12-10-15)23-13-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2,(H,19,20)(H,21,22)
InChIKeyQHWQEQFCGHLBRH-UHFFFAOYSA-N
XLogP3.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
CID 24768560
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
(2S)-2-amino-4-{[4-(2-hydroxy-2-phenylethoxy)phenyl]carbamoyl}butanoic acid
CID 24901622
3-[(4-Butoxybenzoyl)amino]benzoic acid
CID 1712309
(2S)-2-amino-N-[4-(benzyloxy)phenyl]propanamide
CID 22690542
(4S)-4-amino-4-{[4-(benzyloxy)phenyl]carbamoyl}butanoic acid
CID 24901600
methyl (2S)-2-amino-4-{[4-(benzyloxy)phenyl]carbamoyl}butanoate
CID 24901605
tert-butyl (2S)-2-amino-4-{[4-(benzyloxy)phenyl]carbamoyl}butanoate
CID 24901606
(2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide
CID 24901607
(2S)-2-amino-N-[4-(benzyloxy)phenyl]-N''-hydroxypentanediamide
CID 24901608
methyl (2S)-2-amino-4-{[3-(benzyloxy)phenyl]carbamoyl}butanoate
CID 24901613

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid?
The IUPAC name of 5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid (CID 4566654) is 5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid is O=C(O)CCCC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid?
The InChIKey is QHWQEQFCGHLBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c20-17(7-4-8-18(21)22)19-15-9-11-16(12-10-15)23-13-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2,(H,19,20)(H,21,22).
What are the key properties of 5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid?
5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid has a molecular weight of 313.35 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid is sourced from PubChem (CID 4566654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).