2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide

C13H19N3O3 — CID 81420567

IUPAC2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NC(C)C(=O)N(C)C
InChIInChI=1S/C13H19N3O3/c1-8(13(18)16(2)3)15-12(17)11-9(14)6-5-7-10(11)19-4/h5-8H,14H2,1-4H3,(H,15,17)
InChIKeyRVQRJDGZJXELOB-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.48
Rot. Bonds4

About 2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide

2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide (PubChem CID 81420567) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide
PubChem CID81420567
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NC(C)C(=O)N(C)C
InChIInChI=1S/C13H19N3O3/c1-8(13(18)16(2)3)15-12(17)11-9(14)6-5-7-10(11)19-4/h5-8H,14H2,1-4H3,(H,15,17)
InChIKeyRVQRJDGZJXELOB-UHFFFAOYSA-N
XLogP0.48
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 81420995
2-amino-6-methoxy-N-pentan-2-ylbenzamide
CID 81409671
2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide
CID 81420758
5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide
CID 61094470
2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 81394137
2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 81420795
2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 81420291
2-amino-6-methoxy-N-(1-phenylpropyl)benzamide
CID 81394668
2-amino-N-(3-hydroxybutyl)-6-methoxybenzamide
CID 81420949
2-amino-6-methoxy-N-octan-4-ylbenzamide
CID 106021762
2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 81420087
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide?
The IUPAC name of 2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide (CID 81420567) is 2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide?
The canonical SMILES for 2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide is COc1cccc(N)c1C(=O)NC(C)C(=O)N(C)C.
What is the InChIKey of 2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide?
The InChIKey is RVQRJDGZJXELOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(13(18)16(2)3)15-12(17)11-9(14)6-5-7-10(11)19-4/h5-8H,14H2,1-4H3,(H,15,17).
What are the key properties of 2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide?
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide has a molecular weight of 265.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide is sourced from PubChem (CID 81420567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).