[2-(2,2-dimethylpropanoylamino)phenyl]-propan-2-yloxyphosphinic acid

C14H22NO4P — CID 150857541

IUPAC[2-(2,2-dimethylpropanoylamino)phenyl]-propan-2-yloxyphosphinic acid
SMILESCC(C)OP(=O)(O)c1ccccc1NC(=O)C(C)(C)C
InChIInChI=1S/C14H22NO4P/c1-10(2)19-20(17,18)12-9-7-6-8-11(12)15-13(16)14(3,4)5/h6-10H,1-5H3,(H,15,16)(H,17,18)
InChIKeyKRHZQMHZLUTLFB-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.91
Rot. Bonds4

About [2-(2,2-dimethylpropanoylamino)phenyl]-propan-2-yloxyphosphinic acid

[2-(2,2-dimethylpropanoylamino)phenyl]-propan-2-yloxyphosphinic acid (PubChem CID 150857541) has the molecular formula C14H22NO4P and a molecular weight of 299.31 g/mol. Its IUPAC name is [2-(2,2-dimethylpropanoylamino)phenyl]-propan-2-yloxyphosphinic acid.

Molecular Properties

Compound Name[2-(2,2-dimethylpropanoylamino)phenyl]-propan-2-yloxyphosphinic acid
PubChem CID150857541
Molecular FormulaC14H22NO4P
Molecular Weight299.31 g/mol
Exact Mass299.13
IUPAC Name[2-(2,2-dimethylpropanoylamino)phenyl]-propan-2-yloxyphosphinic acid
SMILESCC(C)OP(=O)(O)c1ccccc1NC(=O)C(C)(C)C
InChIInChI=1S/C14H22NO4P/c1-10(2)19-20(17,18)12-9-7-6-8-11(12)15-13(16)14(3,4)5/h6-10H,1-5H3,(H,15,16)(H,17,18)
InChIKeyKRHZQMHZLUTLFB-UHFFFAOYSA-N
XLogP2.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

butan-2-yloxy-[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]phosphinic acid
CID 87917178
2,2-dimethyl-N-[2-tri(propan-2-yl)silyloxyphenyl]propanamide
CID 24778389
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
CID 114315470
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide
CID 117063512
2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid
CID 3252927
2,2-dimethyl-N-(2-propan-2-yl-3-pyridinyl)propanamide
CID 178129632
N-[2-(2-hydroxypropyl)-3-methoxyphenyl]-2,2-dimethylpropanamide
CID 66977950
2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 17113228
N-(2-azidophenyl)-2,2-dimethylpropanamide
CID 151208886
N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
CID 60630209

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpropanoylamino)phenyl]-propan-2-yloxyphosphinic acid?
The IUPAC name of [2-(2,2-dimethylpropanoylamino)phenyl]-propan-2-yloxyphosphinic acid (CID 150857541) is [2-(2,2-dimethylpropanoylamino)phenyl]-propan-2-yloxyphosphinic acid.
What is the SMILES notation for [2-(2,2-dimethylpropanoylamino)phenyl]-propan-2-yloxyphosphinic acid?
The canonical SMILES for [2-(2,2-dimethylpropanoylamino)phenyl]-propan-2-yloxyphosphinic acid is CC(C)OP(=O)(O)c1ccccc1NC(=O)C(C)(C)C.
What is the InChIKey of [2-(2,2-dimethylpropanoylamino)phenyl]-propan-2-yloxyphosphinic acid?
The InChIKey is KRHZQMHZLUTLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO4P/c1-10(2)19-20(17,18)12-9-7-6-8-11(12)15-13(16)14(3,4)5/h6-10H,1-5H3,(H,15,16)(H,17,18).
What are the key properties of [2-(2,2-dimethylpropanoylamino)phenyl]-propan-2-yloxyphosphinic acid?
[2-(2,2-dimethylpropanoylamino)phenyl]-propan-2-yloxyphosphinic acid has a molecular weight of 299.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpropanoylamino)phenyl]-propan-2-yloxyphosphinic acid is sourced from PubChem (CID 150857541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).