5-(diethylamino)-2-(5-methyl-2-propan-2-ylphenoxy)pentanoic acid

C19H31NO3 — CID 57360625

IUPAC5-(diethylamino)-2-(5-methyl-2-propan-2-ylphenoxy)pentanoic acid
SMILESCCN(CC)CCCC(Oc1cc(C)ccc1C(C)C)C(=O)O
InChIInChI=1S/C19H31NO3/c1-6-20(7-2)12-8-9-17(19(21)22)23-18-13-15(5)10-11-16(18)14(3)4/h10-11,13-14,17H,6-9,12H2,1-5H3,(H,21,22)
InChIKeyBNGUXTJBTCYHPN-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.07
Rot. Bonds10

About 5-(diethylamino)-2-(5-methyl-2-propan-2-ylphenoxy)pentanoic acid

5-(diethylamino)-2-(5-methyl-2-propan-2-ylphenoxy)pentanoic acid (PubChem CID 57360625) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 5-(diethylamino)-2-(5-methyl-2-propan-2-ylphenoxy)pentanoic acid.

Molecular Properties

Compound Name5-(diethylamino)-2-(5-methyl-2-propan-2-ylphenoxy)pentanoic acid
PubChem CID57360625
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name5-(diethylamino)-2-(5-methyl-2-propan-2-ylphenoxy)pentanoic acid
SMILESCCN(CC)CCCC(Oc1cc(C)ccc1C(C)C)C(=O)O
InChIInChI=1S/C19H31NO3/c1-6-20(7-2)12-8-9-17(19(21)22)23-18-13-15(5)10-11-16(18)14(3)4/h10-11,13-14,17H,6-9,12H2,1-5H3,(H,21,22)
InChIKeyBNGUXTJBTCYHPN-UHFFFAOYSA-N
XLogP4.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-(5-methyl-2-propan-2-ylphenoxy)pentanoic acid?
The IUPAC name of 5-(diethylamino)-2-(5-methyl-2-propan-2-ylphenoxy)pentanoic acid (CID 57360625) is 5-(diethylamino)-2-(5-methyl-2-propan-2-ylphenoxy)pentanoic acid.
What is the SMILES notation for 5-(diethylamino)-2-(5-methyl-2-propan-2-ylphenoxy)pentanoic acid?
The canonical SMILES for 5-(diethylamino)-2-(5-methyl-2-propan-2-ylphenoxy)pentanoic acid is CCN(CC)CCCC(Oc1cc(C)ccc1C(C)C)C(=O)O.
What is the InChIKey of 5-(diethylamino)-2-(5-methyl-2-propan-2-ylphenoxy)pentanoic acid?
The InChIKey is BNGUXTJBTCYHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-6-20(7-2)12-8-9-17(19(21)22)23-18-13-15(5)10-11-16(18)14(3)4/h10-11,13-14,17H,6-9,12H2,1-5H3,(H,21,22).
What are the key properties of 5-(diethylamino)-2-(5-methyl-2-propan-2-ylphenoxy)pentanoic acid?
5-(diethylamino)-2-(5-methyl-2-propan-2-ylphenoxy)pentanoic acid has a molecular weight of 321.46 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-(5-methyl-2-propan-2-ylphenoxy)pentanoic acid is sourced from PubChem (CID 57360625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).