4-(2-amino-2-oxoethoxy)-3-methoxybenzamide

C10H12N2O4 — CID 47120011

IUPAC4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(N)=O)ccc1OCC(N)=O
InChIInChI=1S/C10H12N2O4/c1-15-8-4-6(10(12)14)2-3-7(8)16-5-9(11)13/h2-4H,5H2,1H3,(H2,11,13)(H2,12,14)
InChIKeyXRFMYBLATLPGIF-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.34
Rot. Bonds5

About 4-(2-amino-2-oxoethoxy)-3-methoxybenzamide

4-(2-amino-2-oxoethoxy)-3-methoxybenzamide (PubChem CID 47120011) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
PubChem CID47120011
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(N)=O)ccc1OCC(N)=O
InChIInChI=1S/C10H12N2O4/c1-15-8-4-6(10(12)14)2-3-7(8)16-5-9(11)13/h2-4H,5H2,1H3,(H2,11,13)(H2,12,14)
InChIKeyXRFMYBLATLPGIF-UHFFFAOYSA-N
XLogP-0.34
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-(2-oxopropoxy)benzamide
CID 62030666
3-methoxy-4-(2-oxobutoxy)benzamide
CID 62039571
4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide
CID 55214761
4-butoxy-3-methoxybenzamide
CID 47102628
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
(2S)-2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119237902
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-3-methoxy-N-methylbenzamide
CID 47414265
4-(2-amino-2-oxoethoxy)-N-(3-chlorophenyl)-3-methoxybenzamide
CID 9072187
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119505377
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide
CID 2987165
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride
CID 119505376

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxybenzamide (CID 47120011) is 4-(2-amino-2-oxoethoxy)-3-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-methoxybenzamide is COc1cc(C(N)=O)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-methoxybenzamide?
The InChIKey is XRFMYBLATLPGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-15-8-4-6(10(12)14)2-3-7(8)16-5-9(11)13/h2-4H,5H2,1H3,(H2,11,13)(H2,12,14).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide has a molecular weight of 224.22 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-methoxybenzamide is sourced from PubChem (CID 47120011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).