2-[4-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid

C18H26N2O5 — CID 119231553

IUPAC2-[4-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid
SMILESCCN(CC)C(=O)CCCC(=O)Nc1ccc(OCC(=O)O)cc1C
InChIInChI=1S/C18H26N2O5/c1-4-20(5-2)17(22)8-6-7-16(21)19-15-10-9-14(11-13(15)3)25-12-18(23)24/h9-11H,4-8,12H2,1-3H3,(H,19,21)(H,23,24)
InChIKeyCCNIEZYIWZQUMZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.44
Rot. Bonds10

About 2-[4-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid

2-[4-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid (PubChem CID 119231553) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[4-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid
PubChem CID119231553
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name2-[4-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid
SMILESCCN(CC)C(=O)CCCC(=O)Nc1ccc(OCC(=O)O)cc1C
InChIInChI=1S/C18H26N2O5/c1-4-20(5-2)17(22)8-6-7-16(21)19-15-10-9-14(11-13(15)3)25-12-18(23)24/h9-11H,4-8,12H2,1-3H3,(H,19,21)(H,23,24)
InChIKeyCCNIEZYIWZQUMZ-UHFFFAOYSA-N
XLogP2.44
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
2-[4-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid
CID 120687330
2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid
CID 120524790
2-[4-[4-(3-acetylphenoxy)butanoylamino]-3-methylphenoxy]acetic acid
CID 119231587
2-[4-[4-(2-chlorophenoxy)butanoylamino]-3-methylphenoxy]acetic acid
CID 119231408
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
2-[4-[3-[acetyl(benzyl)amino]propanoylamino]-3-methylphenoxy]acetic acid
CID 119231417
2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 17342102
2-[3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenoxy]acetic acid
CID 119231845
2-[4-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-3-methylphenoxy]acetic acid
CID 119231471
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid
CID 60933731

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid (CID 119231553) is 2-[4-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid is CCN(CC)C(=O)CCCC(=O)Nc1ccc(OCC(=O)O)cc1C.
What is the InChIKey of 2-[4-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid?
The InChIKey is CCNIEZYIWZQUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-4-20(5-2)17(22)8-6-7-16(21)19-15-10-9-14(11-13(15)3)25-12-18(23)24/h9-11H,4-8,12H2,1-3H3,(H,19,21)(H,23,24).
What are the key properties of 2-[4-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid?
2-[4-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid has a molecular weight of 350.42 g/mol, XLogP of 2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid is sourced from PubChem (CID 119231553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).