[2-[(2,4-dimethyl-3-phenylpentan-3-yl)amino]-2-oxoethoxy]-hydroxy-oxophosphanium

C15H23NO4P+ — CID 70404909

IUPAC[2-[(2,4-dimethyl-3-phenylpentan-3-yl)amino]-2-oxoethoxy]-hydroxy-oxophosphanium
SMILESCC(C)C(NC(=O)CO[P+](=O)O)(c1ccccc1)C(C)C
InChIInChI=1S/C15H22NO4P/c1-11(2)15(12(3)4,13-8-6-5-7-9-13)16-14(17)10-20-21(18)19/h5-9,11-12H,10H2,1-4H3,(H-,16,17,18,19)/p+1
InChIKeyKNTUPBOEFULWCK-UHFFFAOYSA-O
MW312.33 g/mol
LogP2.98
Rot. Bonds7

About [2-[(2,4-dimethyl-3-phenylpentan-3-yl)amino]-2-oxoethoxy]-hydroxy-oxophosphanium

[2-[(2,4-dimethyl-3-phenylpentan-3-yl)amino]-2-oxoethoxy]-hydroxy-oxophosphanium (PubChem CID 70404909) has the molecular formula C15H23NO4P+ and a molecular weight of 312.33 g/mol. Its IUPAC name is [2-[(2,4-dimethyl-3-phenylpentan-3-yl)amino]-2-oxoethoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[2-[(2,4-dimethyl-3-phenylpentan-3-yl)amino]-2-oxoethoxy]-hydroxy-oxophosphanium
PubChem CID70404909
Molecular FormulaC15H23NO4P+
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC Name[2-[(2,4-dimethyl-3-phenylpentan-3-yl)amino]-2-oxoethoxy]-hydroxy-oxophosphanium
SMILESCC(C)C(NC(=O)CO[P+](=O)O)(c1ccccc1)C(C)C
InChIInChI=1S/C15H22NO4P/c1-11(2)15(12(3)4,13-8-6-5-7-9-13)16-14(17)10-20-21(18)19/h5-9,11-12H,10H2,1-4H3,(H-,16,17,18,19)/p+1
InChIKeyKNTUPBOEFULWCK-UHFFFAOYSA-O
XLogP2.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.98
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

2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid
CID 115949251
hydroxy-(3-methyl-2-oxo-3-phenoxybutoxy)-oxophosphanium
CID 70451922
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenoxyacetamide;hydrochloride
CID 119605895
2-acetamido-3-methyl-2-phenylbutanoic acid
CID 63701624
2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid
CID 66656181
hydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium
CID 172837062
methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylpropanoate
CID 95271743
2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid
CID 62487480
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
bis(2-methyl-1,1-diphenylpropyl) carbonate
CID 70626235
2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride
CID 87162719
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethyl-3-phenylpentan-3-yl)amino]-2-oxoethoxy]-hydroxy-oxophosphanium?
The IUPAC name of [2-[(2,4-dimethyl-3-phenylpentan-3-yl)amino]-2-oxoethoxy]-hydroxy-oxophosphanium (CID 70404909) is [2-[(2,4-dimethyl-3-phenylpentan-3-yl)amino]-2-oxoethoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [2-[(2,4-dimethyl-3-phenylpentan-3-yl)amino]-2-oxoethoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [2-[(2,4-dimethyl-3-phenylpentan-3-yl)amino]-2-oxoethoxy]-hydroxy-oxophosphanium is CC(C)C(NC(=O)CO[P+](=O)O)(c1ccccc1)C(C)C.
What is the InChIKey of [2-[(2,4-dimethyl-3-phenylpentan-3-yl)amino]-2-oxoethoxy]-hydroxy-oxophosphanium?
The InChIKey is KNTUPBOEFULWCK-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22NO4P/c1-11(2)15(12(3)4,13-8-6-5-7-9-13)16-14(17)10-20-21(18)19/h5-9,11-12H,10H2,1-4H3,(H-,16,17,18,19)/p+1.
What are the key properties of [2-[(2,4-dimethyl-3-phenylpentan-3-yl)amino]-2-oxoethoxy]-hydroxy-oxophosphanium?
[2-[(2,4-dimethyl-3-phenylpentan-3-yl)amino]-2-oxoethoxy]-hydroxy-oxophosphanium has a molecular weight of 312.33 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dimethyl-3-phenylpentan-3-yl)amino]-2-oxoethoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 70404909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).