4-dimethylphosphoryl-N-hydroxy-N-propan-2-ylbutanamide

C9H20NO3P — CID 142080859

IUPAC4-dimethylphosphoryl-N-hydroxy-N-propan-2-ylbutanamide
SMILESCC(C)N(O)C(=O)CCCP(C)(C)=O
InChIInChI=1S/C9H20NO3P/c1-8(2)10(12)9(11)6-5-7-14(3,4)13/h8,12H,5-7H2,1-4H3
InChIKeyIFOPYUICJXSOFK-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.02
Rot. Bonds5

About 4-dimethylphosphoryl-N-hydroxy-N-propan-2-ylbutanamide

4-dimethylphosphoryl-N-hydroxy-N-propan-2-ylbutanamide (PubChem CID 142080859) has the molecular formula C9H20NO3P and a molecular weight of 221.24 g/mol. Its IUPAC name is 4-dimethylphosphoryl-N-hydroxy-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-dimethylphosphoryl-N-hydroxy-N-propan-2-ylbutanamide
PubChem CID142080859
Molecular FormulaC9H20NO3P
Molecular Weight221.24 g/mol
Exact Mass221.12
IUPAC Name4-dimethylphosphoryl-N-hydroxy-N-propan-2-ylbutanamide
SMILESCC(C)N(O)C(=O)CCCP(C)(C)=O
InChIInChI=1S/C9H20NO3P/c1-8(2)10(12)9(11)6-5-7-14(3,4)13/h8,12H,5-7H2,1-4H3
InChIKeyIFOPYUICJXSOFK-UHFFFAOYSA-N
XLogP2.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dihydroxy-N,N'-di(propan-2-yl)octanediamide
CID 23422571
cobalt;N-hydroxy-N-propan-2-yldecanamide
CID 88603876
2-[(2-dimethylphosphorylacetyl)amino]-N-hydroxy-N-propan-2-ylacetamide;ethane
CID 142100543
1-[1-[hydroxy(5,5,5-trifluoropentanoyl)amino]ethyl-propan-2-ylamino]ethyl-methylphosphinic acid
CID 59082881
[4-[ethyl(hydroxy)amino]-4-oxobutyl]phosphonic acid
CID 46223609
N,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide
CID 166071736
N-ethyl-N-(1-hydroxyethyl)hexanamide
CID 174417992
1-dimethylphosphoryl-3-methylbutane
CID 58736798
N'-ethenyl-N'-propan-2-ylpentanediamide
CID 59324613
1-dimethylphosphoryl-4-methylpentan-2-one
CID 20584312
5-amino-N,N-diethylhexanamide
CID 82848451
4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946124

Frequently Asked Questions

What is the IUPAC name of 4-dimethylphosphoryl-N-hydroxy-N-propan-2-ylbutanamide?
The IUPAC name of 4-dimethylphosphoryl-N-hydroxy-N-propan-2-ylbutanamide (CID 142080859) is 4-dimethylphosphoryl-N-hydroxy-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-dimethylphosphoryl-N-hydroxy-N-propan-2-ylbutanamide?
The canonical SMILES for 4-dimethylphosphoryl-N-hydroxy-N-propan-2-ylbutanamide is CC(C)N(O)C(=O)CCCP(C)(C)=O.
What is the InChIKey of 4-dimethylphosphoryl-N-hydroxy-N-propan-2-ylbutanamide?
The InChIKey is IFOPYUICJXSOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO3P/c1-8(2)10(12)9(11)6-5-7-14(3,4)13/h8,12H,5-7H2,1-4H3.
What are the key properties of 4-dimethylphosphoryl-N-hydroxy-N-propan-2-ylbutanamide?
4-dimethylphosphoryl-N-hydroxy-N-propan-2-ylbutanamide has a molecular weight of 221.24 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylphosphoryl-N-hydroxy-N-propan-2-ylbutanamide is sourced from PubChem (CID 142080859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).