3-dimethoxyphosphoryl-2-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide

C16H23N2O6P — CID 87236349

IUPAC3-dimethoxyphosphoryl-2-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide
SMILESCOP(=O)(CC(C(N)=O)c1ccc(N2CCOCC2=O)c(C)c1)OC
InChIInChI=1S/C16H23N2O6P/c1-11-8-12(13(16(17)20)10-25(21,22-2)23-3)4-5-14(11)18-6-7-24-9-15(18)19/h4-5,8,13H,6-7,9-10H2,1-3H3,(H2,17,20)
InChIKeyKTZDETYYRCUJHT-UHFFFAOYSA-N
MW370.34 g/mol
LogP1.41
Rot. Bonds7

About 3-dimethoxyphosphoryl-2-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide

3-dimethoxyphosphoryl-2-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide (PubChem CID 87236349) has the molecular formula C16H23N2O6P and a molecular weight of 370.34 g/mol. Its IUPAC name is 3-dimethoxyphosphoryl-2-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-dimethoxyphosphoryl-2-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide
PubChem CID87236349
Molecular FormulaC16H23N2O6P
Molecular Weight370.34 g/mol
Exact Mass370.13
IUPAC Name3-dimethoxyphosphoryl-2-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide
SMILESCOP(=O)(CC(C(N)=O)c1ccc(N2CCOCC2=O)c(C)c1)OC
InChIInChI=1S/C16H23N2O6P/c1-11-8-12(13(16(17)20)10-25(21,22-2)23-3)4-5-14(11)18-6-7-24-9-15(18)19/h4-5,8,13H,6-7,9-10H2,1-3H3,(H2,17,20)
InChIKeyKTZDETYYRCUJHT-UHFFFAOYSA-N
XLogP1.41
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide
CID 11511934
tert-butyl (2R)-2-[amino(methoxy)methyl]-2-methyl-3-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropanoate
CID 69052951
2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-2-phenylpropanamide
CID 69467024
4-methyl-3-(3-oxomorpholin-4-yl)benzoic acid
CID 82513246
4-(2-methoxy-4-methylphenyl)morpholin-3-one
CID 165482194
N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide
CID 87236086
4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide
CID 68883498
2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide
CID 69353849
N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
CID 59711666
4-[4-(3-amino-1-methylpyrrolidin-1-ium-1-yl)-2-methylphenyl]morpholin-3-one
CID 69466856
(2R)-2-[(4-ethynylphenyl)carbamoylamino]-3-methoxy-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 10253222
(2S)-2-[bis(2,2-difluoroethyl)amino]-N'-[3-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87868846

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxyphosphoryl-2-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide?
The IUPAC name of 3-dimethoxyphosphoryl-2-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide (CID 87236349) is 3-dimethoxyphosphoryl-2-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-dimethoxyphosphoryl-2-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide?
The canonical SMILES for 3-dimethoxyphosphoryl-2-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide is COP(=O)(CC(C(N)=O)c1ccc(N2CCOCC2=O)c(C)c1)OC.
What is the InChIKey of 3-dimethoxyphosphoryl-2-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide?
The InChIKey is KTZDETYYRCUJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N2O6P/c1-11-8-12(13(16(17)20)10-25(21,22-2)23-3)4-5-14(11)18-6-7-24-9-15(18)19/h4-5,8,13H,6-7,9-10H2,1-3H3,(H2,17,20).
What are the key properties of 3-dimethoxyphosphoryl-2-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide?
3-dimethoxyphosphoryl-2-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide has a molecular weight of 370.34 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxyphosphoryl-2-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide is sourced from PubChem (CID 87236349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).