sodium 1-[(2-methylbenzoyl)amino]ethylphosphanide

C10H13NNaOP — CID 156861333

IUPACsodium 1-[(2-methylbenzoyl)amino]ethylphosphanide
SMILESCc1ccccc1C(=O)NC(C)[PH-].[Na+]
InChIInChI=1S/C10H13NOP.Na/c1-7-5-3-4-6-9(7)10(12)11-8(2)13;/h3-6,8,13H,1-2H3,(H,11,12);/q-1;+1
InChIKeyGQOPFSQEBNIBLB-UHFFFAOYSA-N
MW217.18 g/mol
LogP-0.78
Rot. Bonds2

About sodium 1-[(2-methylbenzoyl)amino]ethylphosphanide

sodium 1-[(2-methylbenzoyl)amino]ethylphosphanide (PubChem CID 156861333) has the molecular formula C10H13NNaOP and a molecular weight of 217.18 g/mol. Its IUPAC name is sodium 1-[(2-methylbenzoyl)amino]ethylphosphanide.

Molecular Properties

Compound Namesodium 1-[(2-methylbenzoyl)amino]ethylphosphanide
PubChem CID156861333
Molecular FormulaC10H13NNaOP
Molecular Weight217.18 g/mol
Exact Mass217.06
IUPAC Namesodium 1-[(2-methylbenzoyl)amino]ethylphosphanide
SMILESCc1ccccc1C(=O)NC(C)[PH-].[Na+]
InChIInChI=1S/C10H13NOP.Na/c1-7-5-3-4-6-9(7)10(12)11-8(2)13;/h3-6,8,13H,1-2H3,(H,11,12);/q-1;+1
InChIKeyGQOPFSQEBNIBLB-UHFFFAOYSA-N
XLogP-0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze sodium 1-[(2-methylbenzoyl)amino]ethylphosphanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-methylbenzoyl)amino]ethylphosphanide
CID 156861334
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748
(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid
CID 2393671
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide
CID 51940796
(2S)-2-[(2-methylbenzoyl)amino]butanedioic acid
CID 15342112
N-[1-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 17326783
2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 34483278
N-(1-chlorobutan-2-yl)-2-methylbenzamide
CID 114294187

Frequently Asked Questions

What is the IUPAC name of sodium 1-[(2-methylbenzoyl)amino]ethylphosphanide?
The IUPAC name of sodium 1-[(2-methylbenzoyl)amino]ethylphosphanide (CID 156861333) is sodium 1-[(2-methylbenzoyl)amino]ethylphosphanide.
What is the SMILES notation for sodium 1-[(2-methylbenzoyl)amino]ethylphosphanide?
The canonical SMILES for sodium 1-[(2-methylbenzoyl)amino]ethylphosphanide is Cc1ccccc1C(=O)NC(C)[PH-].[Na+].
What is the InChIKey of sodium 1-[(2-methylbenzoyl)amino]ethylphosphanide?
The InChIKey is GQOPFSQEBNIBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOP.Na/c1-7-5-3-4-6-9(7)10(12)11-8(2)13;/h3-6,8,13H,1-2H3,(H,11,12);/q-1;+1.
What are the key properties of sodium 1-[(2-methylbenzoyl)amino]ethylphosphanide?
sodium 1-[(2-methylbenzoyl)amino]ethylphosphanide has a molecular weight of 217.18 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-[(2-methylbenzoyl)amino]ethylphosphanide is sourced from PubChem (CID 156861333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).