3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide

C12H17N3O3 — CID 61212548

IUPAC3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)(C)C(N)=O)cc1N
InChIInChI=1S/C12H17N3O3/c1-12(2,11(14)17)15-10(16)7-4-5-9(18-3)8(13)6-7/h4-6H,13H2,1-3H3,(H2,14,17)(H,15,16)
InChIKeyGQMJIKUBZJFNSP-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.27
Rot. Bonds4

About 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide

3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide (PubChem CID 61212548) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide
PubChem CID61212548
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)(C)C(N)=O)cc1N
InChIInChI=1S/C12H17N3O3/c1-12(2,11(14)17)15-10(16)7-4-5-9(18-3)8(13)6-7/h4-6H,13H2,1-3H3,(H2,14,17)(H,15,16)
InChIKeyGQMJIKUBZJFNSP-UHFFFAOYSA-N
XLogP0.27
TPSA107.44 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 ≤ 50.27
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

3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide
CID 43498513
3-amino-N-(N,N'-ditert-butylcarbamimidoyl)-4-methoxybenzamide
CID 138982132
3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43131167
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-N-(4-amino-4-oxobutyl)-4-methoxybenzamide
CID 60864435
(3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone
CID 39383239
3-amino-4-methoxybenzoic acid;3,4-dimethoxyaniline
CID 158690022
methyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-methylbutanoate
CID 43452003
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-fluoro-3-methoxybenzamide
CID 81284104
3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 3297993
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-4-carboxamide
CID 62184832
3-amino-4-methoxy-N-(1-methylcyclopentyl)benzamide
CID 61364767

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide?
The IUPAC name of 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide (CID 61212548) is 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)NC(C)(C)C(N)=O)cc1N.
What is the InChIKey of 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide?
The InChIKey is GQMJIKUBZJFNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(2,11(14)17)15-10(16)7-4-5-9(18-3)8(13)6-7/h4-6H,13H2,1-3H3,(H2,14,17)(H,15,16).
What are the key properties of 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide?
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide has a molecular weight of 251.29 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 61212548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).