2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide

C13H20NO4P — CID 11737708

IUPAC2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide
SMILESCOP(=O)(OC)C(C)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C13H20NO4P/c1-10(12-8-6-5-7-9-12)14-13(15)11(2)19(16,17-3)18-4/h5-11H,1-4H3,(H,14,15)/t10-,11?/m0/s1
InChIKeyUBVSHXCJOMYKMK-VUWPPUDQSA-N
MW285.28 g/mol
LogP2.74
Rot. Bonds6

About 2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide

2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 11737708) has the molecular formula C13H20NO4P and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide
PubChem CID11737708
Molecular FormulaC13H20NO4P
Molecular Weight285.28 g/mol
Exact Mass285.11
IUPAC Name2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide
SMILESCOP(=O)(OC)C(C)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C13H20NO4P/c1-10(12-8-6-5-7-9-12)14-13(15)11(2)19(16,17-3)18-4/h5-11H,1-4H3,(H,14,15)/t10-,11?/m0/s1
InChIKeyUBVSHXCJOMYKMK-VUWPPUDQSA-N
XLogP2.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 102395814
2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide
CID 2788217
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide
CID 63870086

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide (CID 11737708) is 2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide is COP(=O)(OC)C(C)C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is UBVSHXCJOMYKMK-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H20NO4P/c1-10(12-8-6-5-7-9-12)14-13(15)11(2)19(16,17-3)18-4/h5-11H,1-4H3,(H,14,15)/t10-,11?/m0/s1.
What are the key properties of 2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide?
2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 285.28 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 11737708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).