N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydrazinylbenzamide

C12H18N4O2 — CID 106280256

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydrazinylbenzamide
SMILESCC(C)(CNC(=O)c1ccc(NN)cc1)C(N)=O
InChIInChI=1S/C12H18N4O2/c1-12(2,11(13)18)7-15-10(17)8-3-5-9(16-14)6-4-8/h3-6,16H,7,14H2,1-2H3,(H2,13,18)(H,15,17)
InChIKeyDALQXTGEAUWELK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.21
Rot. Bonds5

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydrazinylbenzamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydrazinylbenzamide (PubChem CID 106280256) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydrazinylbenzamide
PubChem CID106280256
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydrazinylbenzamide
SMILESCC(C)(CNC(=O)c1ccc(NN)cc1)C(N)=O
InChIInChI=1S/C12H18N4O2/c1-12(2,11(13)18)7-15-10(17)8-3-5-9(16-14)6-4-8/h3-6,16H,7,14H2,1-2H3,(H2,13,18)(H,15,17)
InChIKeyDALQXTGEAUWELK-UHFFFAOYSA-N
XLogP0.21
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide
CID 103875188
methyl 4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]benzoate
CID 60557777
4-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]benzoic acid
CID 106277914
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-phenylmethoxybenzamide
CID 87045963
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(ethylamino)-2-methylbenzamide
CID 106280076
N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide
CID 62237082
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-hydrazinyl-6-propan-2-ylpyridine-4-carboxamide
CID 106280242
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide
CID 106274758
4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide
CID 115522193
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide
CID 106274538
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide
CID 106276484

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydrazinylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydrazinylbenzamide (CID 106280256) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydrazinylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydrazinylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydrazinylbenzamide is CC(C)(CNC(=O)c1ccc(NN)cc1)C(N)=O.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydrazinylbenzamide?
The InChIKey is DALQXTGEAUWELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2,11(13)18)7-15-10(17)8-3-5-9(16-14)6-4-8/h3-6,16H,7,14H2,1-2H3,(H2,13,18)(H,15,17).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydrazinylbenzamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydrazinylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 0.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydrazinylbenzamide is sourced from PubChem (CID 106280256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).