2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid

C16H23NO4 — CID 43113710

IUPAC2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid
SMILESCCCC(C)NC(=O)C(C)Oc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H23NO4/c1-4-5-11(2)17-16(20)12(3)21-14-8-6-13(7-9-14)10-15(18)19/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyWLTSLXKVGXMHHC-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.39
Rot. Bonds8

About 2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid

2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid (PubChem CID 43113710) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid
PubChem CID43113710
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid
SMILESCCCC(C)NC(=O)C(C)Oc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H23NO4/c1-4-5-11(2)17-16(20)12(3)21-14-8-6-13(7-9-14)10-15(18)19/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyWLTSLXKVGXMHHC-UHFFFAOYSA-N
XLogP2.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

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Related Compounds

2-[4-[(2R)-pentan-2-yl]oxyphenyl]acetic acid
CID 124632287
2-methyl-4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 107671023
(2R)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558239
(2S)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558253
2-[4-(1-bromobutoxy)phenyl]acetic acid
CID 54461167
5-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
CID 79794781
(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 807864
(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 99953946
2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide
CID 115495748
2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide
CID 113296486
2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide
CID 107720399
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid?
The IUPAC name of 2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid (CID 43113710) is 2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid?
The canonical SMILES for 2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid is CCCC(C)NC(=O)C(C)Oc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid?
The InChIKey is WLTSLXKVGXMHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-5-11(2)17-16(20)12(3)21-14-8-6-13(7-9-14)10-15(18)19/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid?
2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid is sourced from PubChem (CID 43113710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).