3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide

C11H19N5O2 — CID 76920009

IUPAC3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)NCCCn1ccnc1)C(N)=NO
InChIInChI=1S/C11H19N5O2/c1-11(2,9(12)15-18)10(17)14-4-3-6-16-7-5-13-8-16/h5,7-8,18H,3-4,6H2,1-2H3,(H2,12,15)(H,14,17)
InChIKeyNGZSPFLCVSZPKI-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.16
Rot. Bonds6

About 3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide

3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide (PubChem CID 76920009) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide
PubChem CID76920009
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)NCCCn1ccnc1)C(N)=NO
InChIInChI=1S/C11H19N5O2/c1-11(2,9(12)15-18)10(17)14-4-3-6-16-7-5-13-8-16/h5,7-8,18H,3-4,6H2,1-2H3,(H2,12,15)(H,14,17)
InChIKeyNGZSPFLCVSZPKI-UHFFFAOYSA-N
XLogP0.16
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-imidazol-1-ylpropylurea
CID 22179621
2-(N'-hydroxycarbamimidoyl)-N-(2-imidazol-1-ylethyl)-2-propylpentanamide
CID 76925978
3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide
CID 64686152
2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 61325537
N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
CID 110463413
N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide
CID 2947951
2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide
CID 110443177
1-[(E)-N'-hydroxycarbamimidoyl]-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide
CID 80597034
2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 103429654
1-carbamoyl-1,3-bis(3-imidazol-1-ylpropyl)urea
CID 164606173
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
2-hydroxy-3-(3-imidazol-1-ylpropylcarbamoylamino)-2-methylpropanoic acid
CID 66172623

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide (CID 76920009) is 3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide is CC(C)(C(=O)NCCCn1ccnc1)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide?
The InChIKey is NGZSPFLCVSZPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-11(2,9(12)15-18)10(17)14-4-3-6-16-7-5-13-8-16/h5,7-8,18H,3-4,6H2,1-2H3,(H2,12,15)(H,14,17).
What are the key properties of 3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide?
3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide has a molecular weight of 253.31 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 76920009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).