2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid

C14H19N3O4 — CID 65345894

IUPAC2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid
SMILESCN(C)C(=O)CN(C)C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C14H19N3O4/c1-16(2)12(18)9-17(3)14(21)15-11-6-4-5-10(7-11)8-13(19)20/h4-7H,8-9H2,1-3H3,(H,15,21)(H,19,20)
InChIKeyFMNQXFIAZJZOSE-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.87
Rot. Bonds5

About 2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid

2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid (PubChem CID 65345894) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid
PubChem CID65345894
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid
SMILESCN(C)C(=O)CN(C)C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C14H19N3O4/c1-16(2)12(18)9-17(3)14(21)15-11-6-4-5-10(7-11)8-13(19)20/h4-7H,8-9H2,1-3H3,(H,15,21)(H,19,20)
InChIKeyFMNQXFIAZJZOSE-UHFFFAOYSA-N
XLogP0.87
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345591
3-[methyl-[[3-(methylaminomethyl)phenyl]carbamoyl]amino]propanoic acid
CID 55134853
2-[3-(2,2-dimethylpropanoylamino)phenyl]acetic acid
CID 28759434
2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide
CID 54207621
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 65345497
2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide
CID 61449717
2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide
CID 54255659
2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345726
2-[3-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
CID 65349900
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-fluorobenzoic acid
CID 61198437

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid (CID 65345894) is 2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid is CN(C)C(=O)CN(C)C(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid?
The InChIKey is FMNQXFIAZJZOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-16(2)12(18)9-17(3)14(21)15-11-6-4-5-10(7-11)8-13(19)20/h4-7H,8-9H2,1-3H3,(H,15,21)(H,19,20).
What are the key properties of 2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid?
2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 65345894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).