2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

C12H17N3O3 — CID 81420995

IUPAC2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1c(N)cccc1OC
InChIInChI=1S/C12H17N3O3/c1-7(11(16)14-2)15-12(17)10-8(13)5-4-6-9(10)18-3/h4-7H,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyQGXDEDIHAOFIKL-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.14
Rot. Bonds4

About 2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 81420995) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
PubChem CID81420995
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1c(N)cccc1OC
InChIInChI=1S/C12H17N3O3/c1-7(11(16)14-2)15-12(17)10-8(13)5-4-6-9(10)18-3/h4-7H,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyQGXDEDIHAOFIKL-UHFFFAOYSA-N
XLogP0.14
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.14
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

2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide
CID 81420567
2-amino-6-methoxy-N-pentan-2-ylbenzamide
CID 81409671
2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide
CID 81420758
2,6-dihydroxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103890339
2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 81420087
2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 81394137
2-amino-6-methoxy-N-(1-phenylpropyl)benzamide
CID 81394668
2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 81420795
2-amino-N-(3-hydroxybutyl)-6-methoxybenzamide
CID 81420949
2-amino-6-methoxy-N-octan-4-ylbenzamide
CID 106021762
2-amino-6-methoxy-N-pyridin-4-ylbenzamide
CID 81410012
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (CID 81420995) is 2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is CNC(=O)C(C)NC(=O)c1c(N)cccc1OC.
What is the InChIKey of 2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is QGXDEDIHAOFIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7(11(16)14-2)15-12(17)10-8(13)5-4-6-9(10)18-3/h4-7H,13H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 251.29 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 81420995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).