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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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-4-piperidin-1-ylbutanoic acid
CID 57371523
2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one
CID 64866513
3-(5-methyl-2-propan-2-ylphenoxy)-N,N-dipropylpropan-1-amine;oxalic acid
CID 2934936
3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119190845
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid
CID 83041581
2-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]butanoic acid
CID 119223242
N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133162903
ethyl 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]pentanoate
CID 83042105
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241
ethyl (5-methyl-2-propan-2-ylphenyl) carbonate
CID 162444144
4,4,4-trifluoro-3-(5-methyl-2-propan-2-ylphenoxy)butanoic acid
CID 63074112
(2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100527362

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).