2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid

C16H23NO4 — CID 80722346

IUPAC2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
SMILESCCCCCNC(=O)C(C)Oc1ccccc1CC(=O)O
InChIInChI=1S/C16H23NO4/c1-3-4-7-10-17-16(20)12(2)21-14-9-6-5-8-13(14)11-15(18)19/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyKAZHXTDOGRGFMQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.39
Rot. Bonds9

About 2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid

2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid (PubChem CID 80722346) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
PubChem CID80722346
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
SMILESCCCCCNC(=O)C(C)Oc1ccccc1CC(=O)O
InChIInChI=1S/C16H23NO4/c1-3-4-7-10-17-16(20)12(2)21-14-9-6-5-8-13(14)11-15(18)19/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyKAZHXTDOGRGFMQ-UHFFFAOYSA-N
XLogP2.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid
CID 43113670
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436
(2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide
CID 92685651
2-[3-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
CID 61398251
N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 63364873
2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 80741605
(2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 99959864
2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
CID 80741308
4-methyl-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid
CID 61379609
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
2-(2-ethylphenoxy)-N-(2-phenoxyethyl)propanamide
CID 133239770

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid?
The IUPAC name of 2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid (CID 80722346) is 2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid?
The canonical SMILES for 2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid is CCCCCNC(=O)C(C)Oc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid?
The InChIKey is KAZHXTDOGRGFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-4-7-10-17-16(20)12(2)21-14-9-6-5-8-13(14)11-15(18)19/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid?
2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid is sourced from PubChem (CID 80722346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).