propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate

C18H30NO5P — CID 118967597

IUPACpropan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate
SMILESCC(C)OC(=O)C(C)NP(=O)(COC(C)C(C)C)Oc1ccccc1
InChIInChI=1S/C18H30NO5P/c1-13(2)16(6)22-12-25(21,24-17-10-8-7-9-11-17)19-15(5)18(20)23-14(3)4/h7-11,13-16H,12H2,1-6H3,(H,19,21)
InChIKeyKEOIVOYHAOGPIQ-UHFFFAOYSA-N
MW371.41 g/mol
LogP4.21
Rot. Bonds10

About propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate

propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate (PubChem CID 118967597) has the molecular formula C18H30NO5P and a molecular weight of 371.41 g/mol. Its IUPAC name is propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate
PubChem CID118967597
Molecular FormulaC18H30NO5P
Molecular Weight371.41 g/mol
Exact Mass371.19
IUPAC Namepropan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate
SMILESCC(C)OC(=O)C(C)NP(=O)(COC(C)C(C)C)Oc1ccccc1
InChIInChI=1S/C18H30NO5P/c1-13(2)16(6)22-12-25(21,24-17-10-8-7-9-11-17)19-15(5)18(20)23-14(3)4/h7-11,13-16H,12H2,1-6H3,(H,19,21)
InChIKeyKEOIVOYHAOGPIQ-UHFFFAOYSA-N
XLogP4.21
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate 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

propan-2-yl 2-[[phenoxy(propan-2-yloxymethyl)phosphoryl]amino]propanoate
CID 90440549
propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 123570379
propan-2-yl (2S)-2-(diphenoxyphosphorylamino)propanoate
CID 90392548
propan-2-yl (2S)-2-[[methyl(phenoxy)phosphoryl]amino]propanoate
CID 58463507
propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 72578666
propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate
CID 90055745
ethyl (2S)-2-[[[(2R)-1-(methylamino)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
CID 71120514
propan-2-yl 2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 87400602
propan-2-yl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 53476763
propan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate
CID 164823812
propan-2-yl (2S)-2-[[methoxymethyl-(4-nitrophenoxy)phosphoryl]amino]propanoate
CID 156635379
propan-2-yl (2R)-2-[[[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
CID 129407224

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate?
The IUPAC name of propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate (CID 118967597) is propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate.
What is the SMILES notation for propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate?
The canonical SMILES for propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate is CC(C)OC(=O)C(C)NP(=O)(COC(C)C(C)C)Oc1ccccc1.
What is the InChIKey of propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate?
The InChIKey is KEOIVOYHAOGPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30NO5P/c1-13(2)16(6)22-12-25(21,24-17-10-8-7-9-11-17)19-15(5)18(20)23-14(3)4/h7-11,13-16H,12H2,1-6H3,(H,19,21).
What are the key properties of propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate?
propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate has a molecular weight of 371.41 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate is sourced from PubChem (CID 118967597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).