2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid

C16H22N2O5 — CID 119179589

IUPAC2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C16H22N2O5/c1-4-18(5-2)14(19)10-17(3)16(22)12-7-6-8-13(9-12)23-11-15(20)21/h6-9H,4-5,10-11H2,1-3H3,(H,20,21)
InChIKeyNADPCUWFRJSSTN-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.09
Rot. Bonds8

About 2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid

2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid (PubChem CID 119179589) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid
PubChem CID119179589
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C16H22N2O5/c1-4-18(5-2)14(19)10-17(3)16(22)12-7-6-8-13(9-12)23-11-15(20)21/h6-9H,4-5,10-11H2,1-3H3,(H,20,21)
InChIKeyNADPCUWFRJSSTN-UHFFFAOYSA-N
XLogP1.09
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 52552738
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-6-phenoxypyridine-3-carboxamide
CID 87002374
[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8573927
2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194487
2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid
CID 119186656
2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid
CID 120691893
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
3-ethoxy-N-methyl-N-prop-2-enylbenzamide
CID 123374812
3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
CID 16769869
2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid
CID 54900937
2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid
CID 120691080

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid (CID 119179589) is 2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid is CCN(CC)C(=O)CN(C)C(=O)c1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid?
The InChIKey is NADPCUWFRJSSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-4-18(5-2)14(19)10-17(3)16(22)12-7-6-8-13(9-12)23-11-15(20)21/h6-9H,4-5,10-11H2,1-3H3,(H,20,21).
What are the key properties of 2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid?
2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid has a molecular weight of 322.36 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119179589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).