3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide

C10H13N3O3 — CID 81089939

IUPAC3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)NCC(N)=O)c1
InChIInChI=1S/C10H13N3O3/c1-16-8-3-6(2-7(11)4-8)10(15)13-5-9(12)14/h2-4H,5,11H2,1H3,(H2,12,14)(H,13,15)
InChIKeyRQDVLKLYZURZEF-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.51
Rot. Bonds4

About 3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide

3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide (PubChem CID 81089939) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide
PubChem CID81089939
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)NCC(N)=O)c1
InChIInChI=1S/C10H13N3O3/c1-16-8-3-6(2-7(11)4-8)10(15)13-5-9(12)14/h2-4H,5,11H2,1H3,(H2,12,14)(H,13,15)
InChIKeyRQDVLKLYZURZEF-UHFFFAOYSA-N
XLogP-0.51
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate
CID 81090884
3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78985256
3-amino-N-but-3-ynyl-5-methoxybenzamide
CID 81091765
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
3,5-dimethoxy-N-(2-oxopropyl)benzamide
CID 64996551
3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 81089949
3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide
CID 81090806
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methoxybenzamide
CID 115453958
3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416341
2-(3-amino-5-methoxyanilino)acetamide
CID 80725904
3-amino-N-(3-butoxypropyl)-5-methoxybenzamide
CID 115597742
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide (CID 81089939) is 3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide is COc1cc(N)cc(C(=O)NCC(N)=O)c1.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide?
The InChIKey is RQDVLKLYZURZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-8-3-6(2-7(11)4-8)10(15)13-5-9(12)14/h2-4H,5,11H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide?
3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide has a molecular weight of 223.23 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide is sourced from PubChem (CID 81089939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).