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

C13H19N3O3 — CID 61094470

IUPAC5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NC(C)C(=O)N(C)C
InChIInChI=1S/C13H19N3O3/c1-8(13(18)16(2)3)15-12(17)10-7-9(14)5-6-11(10)19-4/h5-8H,14H2,1-4H3,(H,15,17)
InChIKeyLZOOQWPKIORPQE-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.48
Rot. Bonds4

About 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide

5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide (PubChem CID 61094470) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide
PubChem CID61094470
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NC(C)C(=O)N(C)C
InChIInChI=1S/C13H19N3O3/c1-8(13(18)16(2)3)15-12(17)10-7-9(14)5-6-11(10)19-4/h5-8H,14H2,1-4H3,(H,15,17)
InChIKeyLZOOQWPKIORPQE-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-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide
CID 81420567
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxybenzamide
CID 107869019
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
CID 107207808
5-amino-N-hexan-3-yl-2-methoxybenzamide
CID 62094748
methyl 5-amino-2-[1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoate
CID 106955681
N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide
CID 43297510
5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 63117766
5-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62634324
5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide
CID 61138881
5-amino-N-ethyl-2-methoxy-N-methylbenzamide
CID 61094369
5-amino-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 61091450
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62975328

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide?
The IUPAC name of 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide (CID 61094470) is 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide is COc1ccc(N)cc1C(=O)NC(C)C(=O)N(C)C.
What is the InChIKey of 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide?
The InChIKey is LZOOQWPKIORPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(13(18)16(2)3)15-12(17)10-7-9(14)5-6-11(10)19-4/h5-8H,14H2,1-4H3,(H,15,17).
What are the key properties of 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide?
5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-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 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 61094470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).