3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide

C12H17N3O2 — CID 61212549

IUPAC3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C12H17N3O2/c1-7-8(5-4-6-9(7)13)10(16)15-12(2,3)11(14)17/h4-6H,13H2,1-3H3,(H2,14,17)(H,15,16)
InChIKeyIIBPRCJYNDUURF-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.57
Rot. Bonds3

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

3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide (PubChem CID 61212549) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide
PubChem CID61212549
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C12H17N3O2/c1-7-8(5-4-6-9(7)13)10(16)15-12(2,3)11(14)17/h4-6H,13H2,1-3H3,(H2,14,17)(H,15,16)
InChIKeyIIBPRCJYNDUURF-UHFFFAOYSA-N
XLogP0.57
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide
CID 115540469
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide
CID 78984760
2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide
CID 61212389
(2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103927250
3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 83142819
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide
CID 143253125
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide
CID 62660729
ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate
CID 60812497
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558339
3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158345
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide
CID 104547692
3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310303

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide (CID 61212549) is 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide is Cc1c(N)cccc1C(=O)NC(C)(C)C(N)=O.
What is the InChIKey of 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide?
The InChIKey is IIBPRCJYNDUURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7-8(5-4-6-9(7)13)10(16)15-12(2,3)11(14)17/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)-2-methylbenzamide?
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide has a molecular weight of 235.29 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 61212549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).