2-[2-(dipropylamino)-2-oxoethoxy]-4-methylbenzoic acid

C16H23NO4 — CID 61379186

IUPAC2-[2-(dipropylamino)-2-oxoethoxy]-4-methylbenzoic acid
SMILESCCCN(CCC)C(=O)COc1cc(C)ccc1C(=O)O
InChIInChI=1S/C16H23NO4/c1-4-8-17(9-5-2)15(18)11-21-14-10-12(3)6-7-13(14)16(19)20/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,19,20)
InChIKeyQWRFFNQQFCGPHC-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.72
Rot. Bonds8

About 2-[2-(dipropylamino)-2-oxoethoxy]-4-methylbenzoic acid

2-[2-(dipropylamino)-2-oxoethoxy]-4-methylbenzoic acid (PubChem CID 61379186) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[2-(dipropylamino)-2-oxoethoxy]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-[2-(dipropylamino)-2-oxoethoxy]-4-methylbenzoic acid
PubChem CID61379186
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[2-(dipropylamino)-2-oxoethoxy]-4-methylbenzoic acid
SMILESCCCN(CCC)C(=O)COc1cc(C)ccc1C(=O)O
InChIInChI=1S/C16H23NO4/c1-4-8-17(9-5-2)15(18)11-21-14-10-12(3)6-7-13(14)16(19)20/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,19,20)
InChIKeyQWRFFNQQFCGPHC-UHFFFAOYSA-N
XLogP2.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dipropylamino)-2-oxoethoxy]-5-methylbenzoic acid
CID 61379859
2-(2-ethoxyethoxy)-4-methylbenzoic acid
CID 60676352
2-(3-ethoxypropoxy)-4-methylbenzoic acid
CID 65176172
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60682396
3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
CID 82325601
2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethoxy]-4-methylbenzoic acid
CID 51515598
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
4-methyl-2-prop-2-enoxybenzoic acid
CID 23510388
2-(2-acetylphenoxy)-N,N-dipropylacetamide
CID 82312013
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 78785126
2-[2-[(4-chlorophenyl)methyl-(3-morpholin-4-ylpropyl)amino]-2-oxoethoxy]-4-methylbenzoic acid
CID 155987996

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dipropylamino)-2-oxoethoxy]-4-methylbenzoic acid?
The IUPAC name of 2-[2-(dipropylamino)-2-oxoethoxy]-4-methylbenzoic acid (CID 61379186) is 2-[2-(dipropylamino)-2-oxoethoxy]-4-methylbenzoic acid.
What is the SMILES notation for 2-[2-(dipropylamino)-2-oxoethoxy]-4-methylbenzoic acid?
The canonical SMILES for 2-[2-(dipropylamino)-2-oxoethoxy]-4-methylbenzoic acid is CCCN(CCC)C(=O)COc1cc(C)ccc1C(=O)O.
What is the InChIKey of 2-[2-(dipropylamino)-2-oxoethoxy]-4-methylbenzoic acid?
The InChIKey is QWRFFNQQFCGPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-8-17(9-5-2)15(18)11-21-14-10-12(3)6-7-13(14)16(19)20/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(dipropylamino)-2-oxoethoxy]-4-methylbenzoic acid?
2-[2-(dipropylamino)-2-oxoethoxy]-4-methylbenzoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dipropylamino)-2-oxoethoxy]-4-methylbenzoic acid is sourced from PubChem (CID 61379186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).