2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]propanoyloxymethyl 2,2-dimethylpropanoate

C23H38NO7P — CID 175315690

IUPAC2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]propanoyloxymethyl 2,2-dimethylpropanoate
SMILESCOCP(=O)(NC(C)C(=O)OCOC(=O)C(C)(C)C)Oc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C23H38NO7P/c1-15(2)18-11-10-12-19(16(3)4)20(18)31-32(27,14-28-9)24-17(5)21(25)29-13-30-22(26)23(6,7)8/h10-12,15-17H,13-14H2,1-9H3,(H,24,27)
InChIKeyVFWRHMSHPIEHSR-UHFFFAOYSA-N
MW471.53 g/mol
LogP5.18
Rot. Bonds11

About 2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]propanoyloxymethyl 2,2-dimethylpropanoate

2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]propanoyloxymethyl 2,2-dimethylpropanoate (PubChem CID 175315690) has the molecular formula C23H38NO7P and a molecular weight of 471.53 g/mol. Its IUPAC name is 2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]propanoyloxymethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]propanoyloxymethyl 2,2-dimethylpropanoate
PubChem CID175315690
Molecular FormulaC23H38NO7P
Molecular Weight471.53 g/mol
Exact Mass471.24
IUPAC Name2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]propanoyloxymethyl 2,2-dimethylpropanoate
SMILESCOCP(=O)(NC(C)C(=O)OCOC(=O)C(C)(C)C)Oc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C23H38NO7P/c1-15(2)18-11-10-12-19(16(3)4)20(18)31-32(27,14-28-9)24-17(5)21(25)29-13-30-22(26)23(6,7)8/h10-12,15-17H,13-14H2,1-9H3,(H,24,27)
InChIKeyVFWRHMSHPIEHSR-UHFFFAOYSA-N
XLogP5.18
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.53
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]propanoyloxymethyl 2,2-dimethylpropanoate 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

(3R)-2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylpentanoic acid
CID 174884539
propan-2-yl (2S)-2-[[[2-butan-2-yl-6-[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]propanoate
CID 130324027
[(2R)-butan-2-yl] (2S)-2-[[(2-butan-2-yl-6-propylphenoxy)-(methoxymethyl)phosphoryl]amino]propanoate
CID 130324165
2-[[[2,6-di(propan-2-yl)phenoxy]-(hydroxymethyl)phosphoryl]amino]-2-methylbutanoic acid
CID 174885101
ethyl 2-[[[2-(1-cyclopropylethyl)-4-[3-(1-cyclopropylethyl)-4-hydroxy-5-propan-2-ylphenyl]-6-propan-2-ylphenoxy]-(methoxymethyl)phosphoryl]amino]propanoate
CID 174938191
ethyl 2-[[(2,6-dimethylphenoxy)-ethylphosphoryl]amino]propanoate
CID 143041195
2-[[[2,6-bis[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid
CID 174884503
propan-2-yl (2S)-2-[[[2-[(1R)-1-cyclopropylethyl]-4-[3-[(1R)-1-cyclopropylethyl]-4-hydroxy-5-propan-2-ylphenyl]-6-propan-2-ylphenoxy]-(methoxymethyl)phosphoryl]amino]propanoate
CID 130300917
2-[[(dimethylamino)methyl-[2,6-di(propan-2-yl)phenoxy]phosphoryl]amino]-2-methylbutanoic acid
CID 174884485
methyl 2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]amino]acetate
CID 164681533
methyl (2S)-2-[[2,2-dimethylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 176807905
ethyl 2-[[[2,6-di(propan-2-yl)phenoxy]-[(2-ethoxy-2-oxoethyl)amino]phosphoryl]amino]acetate
CID 118909709

Frequently Asked Questions

What is the IUPAC name of 2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]propanoyloxymethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]propanoyloxymethyl 2,2-dimethylpropanoate (CID 175315690) is 2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]propanoyloxymethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]propanoyloxymethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]propanoyloxymethyl 2,2-dimethylpropanoate is COCP(=O)(NC(C)C(=O)OCOC(=O)C(C)(C)C)Oc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]propanoyloxymethyl 2,2-dimethylpropanoate?
The InChIKey is VFWRHMSHPIEHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38NO7P/c1-15(2)18-11-10-12-19(16(3)4)20(18)31-32(27,14-28-9)24-17(5)21(25)29-13-30-22(26)23(6,7)8/h10-12,15-17H,13-14H2,1-9H3,(H,24,27).
What are the key properties of 2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]propanoyloxymethyl 2,2-dimethylpropanoate?
2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]propanoyloxymethyl 2,2-dimethylpropanoate has a molecular weight of 471.53 g/mol, XLogP of 5.18, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]propanoyloxymethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 175315690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).