3-azido-2-oxo-3-phenyl-N,N-di(propan-2-yl)propanamide

C15H20N4O2 — CID 101021188

IUPAC3-azido-2-oxo-3-phenyl-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)C(=O)C(N=[N+]=[N-])c1ccccc1)C(C)C
InChIInChI=1S/C15H20N4O2/c1-10(2)19(11(3)4)15(21)14(20)13(17-18-16)12-8-6-5-7-9-12/h5-11,13H,1-4H3
InChIKeyPRUBRYSZJNEMRS-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.25
Rot. Bonds6

About 3-azido-2-oxo-3-phenyl-N,N-di(propan-2-yl)propanamide

3-azido-2-oxo-3-phenyl-N,N-di(propan-2-yl)propanamide (PubChem CID 101021188) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-azido-2-oxo-3-phenyl-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name3-azido-2-oxo-3-phenyl-N,N-di(propan-2-yl)propanamide
PubChem CID101021188
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-azido-2-oxo-3-phenyl-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)C(=O)C(N=[N+]=[N-])c1ccccc1)C(C)C
InChIInChI=1S/C15H20N4O2/c1-10(2)19(11(3)4)15(21)14(20)13(17-18-16)12-8-6-5-7-9-12/h5-11,13H,1-4H3
InChIKeyPRUBRYSZJNEMRS-UHFFFAOYSA-N
XLogP3.25
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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(2R)-1-azido-1-phenylpropan-2-amine
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(3R)-2-amino-3-azido-3-phenylpropanoic acid
CID 143087453
3-[azido(phenyl)methyl]benzoic acid
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2-(benzenesulfonyl)-2-diazo-N,N-di(propan-2-yl)acetamide
CID 71359359
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
[(2S,3S)-3-azidobutan-2-yl]benzene
CID 131049282
(2S)-2-azido-N-(2-oxoazetidin-3-yl)-2-phenylacetamide
CID 18598721
azido(phenyl)methanol
CID 59611949
[1-azido-2-(azidomethylidene)-3,3-dimethylbutyl]benzene
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CID 153288330

Frequently Asked Questions

What is the IUPAC name of 3-azido-2-oxo-3-phenyl-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 3-azido-2-oxo-3-phenyl-N,N-di(propan-2-yl)propanamide (CID 101021188) is 3-azido-2-oxo-3-phenyl-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 3-azido-2-oxo-3-phenyl-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 3-azido-2-oxo-3-phenyl-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)C(=O)C(N=[N+]=[N-])c1ccccc1)C(C)C.
What is the InChIKey of 3-azido-2-oxo-3-phenyl-N,N-di(propan-2-yl)propanamide?
The InChIKey is PRUBRYSZJNEMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)19(11(3)4)15(21)14(20)13(17-18-16)12-8-6-5-7-9-12/h5-11,13H,1-4H3.
What are the key properties of 3-azido-2-oxo-3-phenyl-N,N-di(propan-2-yl)propanamide?
3-azido-2-oxo-3-phenyl-N,N-di(propan-2-yl)propanamide has a molecular weight of 288.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-2-oxo-3-phenyl-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 101021188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).