2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide

C11H16N4O2 — CID 61212389

IUPAC2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1ccc(N)cc1N)C(N)=O
InChIInChI=1S/C11H16N4O2/c1-11(2,10(14)17)15-9(16)7-4-3-6(12)5-8(7)13/h3-5H,12-13H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyYJQWCWMQQVDNAW-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.16
Rot. Bonds3

About 2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide

2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide (PubChem CID 61212389) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide
PubChem CID61212389
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1ccc(N)cc1N)C(N)=O
InChIInChI=1S/C11H16N4O2/c1-11(2,10(14)17)15-9(16)7-4-3-6(12)5-8(7)13/h3-5H,12-13H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyYJQWCWMQQVDNAW-UHFFFAOYSA-N
XLogP-0.16
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
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-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide
CID 61212549
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 62187177
2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347919
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide
CID 106095391
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide
CID 115540469
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide
CID 122583234
(4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone
CID 163468215
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide
CID 61212548
2-amino-4-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]benzoic acid
CID 104500511
4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzamide
CID 107843435
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide
CID 106686516
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide
CID 143253125

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide?
The IUPAC name of 2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide (CID 61212389) is 2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide?
The canonical SMILES for 2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide is CC(C)(NC(=O)c1ccc(N)cc1N)C(N)=O.
What is the InChIKey of 2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide?
The InChIKey is YJQWCWMQQVDNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-11(2,10(14)17)15-9(16)7-4-3-6(12)5-8(7)13/h3-5H,12-13H2,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of 2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide?
2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide has a molecular weight of 236.28 g/mol, XLogP of -0.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide is sourced from PubChem (CID 61212389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).