N-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide

C15H23N3O2 — CID 76953544

IUPACN-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide
SMILESCCC(C)(C)C(=O)N(CCC(N)=NO)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-4-15(2,3)14(19)18(11-10-13(16)17-20)12-8-6-5-7-9-12/h5-9,20H,4,10-11H2,1-3H3,(H2,16,17)
InChIKeyOMDOEJGQLPWYFP-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.59
Rot. Bonds6

About N-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide

N-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide (PubChem CID 76953544) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide
PubChem CID76953544
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide
SMILESCCC(C)(C)C(=O)N(CCC(N)=NO)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-4-15(2,3)14(19)18(11-10-13(16)17-20)12-8-6-5-7-9-12/h5-9,20H,4,10-11H2,1-3H3,(H2,16,17)
InChIKeyOMDOEJGQLPWYFP-UHFFFAOYSA-N
XLogP2.59
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide
CID 62679945
N-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide
CID 76948308
3-(N-(3-amino-2,2-dimethylpropanoyl)anilino)propanoic acid
CID 115426559
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide
CID 107974128
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 62677230
N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide
CID 62677429
N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 71107115
N'-hydroxy-3-(N-(3-methylpyrazin-2-yl)anilino)propanimidamide
CID 83064180
N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide
CID 24710523
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
methyl N-[[(3Z)-3-amino-3-hydroxyiminopropyl]-phenylsulfamoyl]carbamate
CID 114465885
N-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide
CID 71107442

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide (CID 76953544) is N-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide is CCC(C)(C)C(=O)N(CCC(N)=NO)c1ccccc1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide?
The InChIKey is OMDOEJGQLPWYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-15(2,3)14(19)18(11-10-13(16)17-20)12-8-6-5-7-9-12/h5-9,20H,4,10-11H2,1-3H3,(H2,16,17).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide?
N-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide has a molecular weight of 277.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide is sourced from PubChem (CID 76953544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).