3-(2-amino-2-oxoethoxy)-N-methyl-N-(1-methylpyrazol-4-yl)benzamide

C14H16N4O3 — CID 136528003

IUPAC3-(2-amino-2-oxoethoxy)-N-methyl-N-(1-methylpyrazol-4-yl)benzamide
SMILESCN(C(=O)c1cccc(OCC(N)=O)c1)c1cnn(C)c1
InChIInChI=1S/C14H16N4O3/c1-17-8-11(7-16-17)18(2)14(20)10-4-3-5-12(6-10)21-9-13(15)19/h3-8H,9H2,1-2H3,(H2,15,19)
InChIKeyTZYQTEUZDWBTOY-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.56
Rot. Bonds5

About 3-(2-amino-2-oxoethoxy)-N-methyl-N-(1-methylpyrazol-4-yl)benzamide

3-(2-amino-2-oxoethoxy)-N-methyl-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 136528003) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethoxy)-N-methyl-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethoxy)-N-methyl-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID136528003
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-(2-amino-2-oxoethoxy)-N-methyl-N-(1-methylpyrazol-4-yl)benzamide
SMILESCN(C(=O)c1cccc(OCC(N)=O)c1)c1cnn(C)c1
InChIInChI=1S/C14H16N4O3/c1-17-8-11(7-16-17)18(2)14(20)10-4-3-5-12(6-10)21-9-13(15)19/h3-8H,9H2,1-2H3,(H2,15,19)
InChIKeyTZYQTEUZDWBTOY-UHFFFAOYSA-N
XLogP0.56
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 95569382
N-(3-carbamothioylphenyl)-N,1-dimethylpyrazole-4-carboxamide
CID 62970121
(1-methylpyrazol-4-yl)methyl 3-[2-(dimethylamino)-2-oxoethoxy]benzoate
CID 51088807
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
2-[3-[[[ethylamino-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111984812
3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 86824225
3-(2-amino-2-oxoethoxy)-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 134054424
3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 97133696
3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 35689866
[(E)-[amino-[4-(2-amino-2-oxoethoxy)phenyl]methylidene]amino] 1-methylpyrazole-4-carboxylate
CID 51569990
3-(2-amino-2-oxoethoxy)-N-(1-benzylpyrazol-4-yl)benzamide
CID 134699731
N-(3-aminophenyl)-N-methyl-3-propoxybenzamide
CID 62918808

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethoxy)-N-methyl-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 3-(2-amino-2-oxoethoxy)-N-methyl-N-(1-methylpyrazol-4-yl)benzamide (CID 136528003) is 3-(2-amino-2-oxoethoxy)-N-methyl-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-(2-amino-2-oxoethoxy)-N-methyl-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-(2-amino-2-oxoethoxy)-N-methyl-N-(1-methylpyrazol-4-yl)benzamide is CN(C(=O)c1cccc(OCC(N)=O)c1)c1cnn(C)c1.
What is the InChIKey of 3-(2-amino-2-oxoethoxy)-N-methyl-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is TZYQTEUZDWBTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-17-8-11(7-16-17)18(2)14(20)10-4-3-5-12(6-10)21-9-13(15)19/h3-8H,9H2,1-2H3,(H2,15,19).
What are the key properties of 3-(2-amino-2-oxoethoxy)-N-methyl-N-(1-methylpyrazol-4-yl)benzamide?
3-(2-amino-2-oxoethoxy)-N-methyl-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 288.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethoxy)-N-methyl-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 136528003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).