4-[3-methoxy-5-methyl-4-[[methyl(phosphanyloxy)amino]methyl]phenoxy]-N-methylbutanamide

C15H25N2O4P — CID 20680981

IUPAC4-[3-methoxy-5-methyl-4-[[methyl(phosphanyloxy)amino]methyl]phenoxy]-N-methylbutanamide
SMILESCNC(=O)CCCOc1cc(C)c(CN(C)OP)c(OC)c1
InChIInChI=1S/C15H25N2O4P/c1-11-8-12(20-7-5-6-15(18)16-2)9-14(19-4)13(11)10-17(3)21-22/h8-9H,5-7,10,22H2,1-4H3,(H,16,18)
InChIKeyCFJZFZVYYQGGSD-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.06
Rot. Bonds9

About 4-[3-methoxy-5-methyl-4-[[methyl(phosphanyloxy)amino]methyl]phenoxy]-N-methylbutanamide

4-[3-methoxy-5-methyl-4-[[methyl(phosphanyloxy)amino]methyl]phenoxy]-N-methylbutanamide (PubChem CID 20680981) has the molecular formula C15H25N2O4P and a molecular weight of 328.35 g/mol. Its IUPAC name is 4-[3-methoxy-5-methyl-4-[[methyl(phosphanyloxy)amino]methyl]phenoxy]-N-methylbutanamide.

Molecular Properties

Compound Name4-[3-methoxy-5-methyl-4-[[methyl(phosphanyloxy)amino]methyl]phenoxy]-N-methylbutanamide
PubChem CID20680981
Molecular FormulaC15H25N2O4P
Molecular Weight328.35 g/mol
Exact Mass328.16
IUPAC Name4-[3-methoxy-5-methyl-4-[[methyl(phosphanyloxy)amino]methyl]phenoxy]-N-methylbutanamide
SMILESCNC(=O)CCCOc1cc(C)c(CN(C)OP)c(OC)c1
InChIInChI=1S/C15H25N2O4P/c1-11-8-12(20-7-5-6-15(18)16-2)9-14(19-4)13(11)10-17(3)21-22/h8-9H,5-7,10,22H2,1-4H3,(H,16,18)
InChIKeyCFJZFZVYYQGGSD-UHFFFAOYSA-N
XLogP2.06
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-[[2,6-dimethoxy-4-[5-(methylamino)-5-oxopentoxy]phenyl]methylamino]-5-oxopentanoic acid
CID 90393911
4-(4-amino-3-methylphenoxy)-N-methylbutanamide
CID 63892855
4-[4-(aminomethyl)-3,5-dimethoxyphenoxy]butanoic acid
CID 68627883
methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate
CID 115232990
4-(3,4,5-trimethoxyphenoxy)butanoic acid
CID 11219431
[4-(methylamino)-4-oxobutyl] 2-amino-4,5-dimethoxybenzoate
CID 63890602
2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide
CID 115173226
4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19191082
4-(4-formyl-3,5-dimethoxyphenoxy)butanoate
CID 7006644
4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
CID 63890145
ethane;methyl 4-(3,4,5-trimethylphenoxy)butanoate
CID 156857087
4-[4-[[2-aminoethyl(methyl)amino]methyl]-3-methoxyphenoxy]-N-ethylbutanamide
CID 59222872

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-5-methyl-4-[[methyl(phosphanyloxy)amino]methyl]phenoxy]-N-methylbutanamide?
The IUPAC name of 4-[3-methoxy-5-methyl-4-[[methyl(phosphanyloxy)amino]methyl]phenoxy]-N-methylbutanamide (CID 20680981) is 4-[3-methoxy-5-methyl-4-[[methyl(phosphanyloxy)amino]methyl]phenoxy]-N-methylbutanamide.
What is the SMILES notation for 4-[3-methoxy-5-methyl-4-[[methyl(phosphanyloxy)amino]methyl]phenoxy]-N-methylbutanamide?
The canonical SMILES for 4-[3-methoxy-5-methyl-4-[[methyl(phosphanyloxy)amino]methyl]phenoxy]-N-methylbutanamide is CNC(=O)CCCOc1cc(C)c(CN(C)OP)c(OC)c1.
What is the InChIKey of 4-[3-methoxy-5-methyl-4-[[methyl(phosphanyloxy)amino]methyl]phenoxy]-N-methylbutanamide?
The InChIKey is CFJZFZVYYQGGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N2O4P/c1-11-8-12(20-7-5-6-15(18)16-2)9-14(19-4)13(11)10-17(3)21-22/h8-9H,5-7,10,22H2,1-4H3,(H,16,18).
What are the key properties of 4-[3-methoxy-5-methyl-4-[[methyl(phosphanyloxy)amino]methyl]phenoxy]-N-methylbutanamide?
4-[3-methoxy-5-methyl-4-[[methyl(phosphanyloxy)amino]methyl]phenoxy]-N-methylbutanamide has a molecular weight of 328.35 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-5-methyl-4-[[methyl(phosphanyloxy)amino]methyl]phenoxy]-N-methylbutanamide is sourced from PubChem (CID 20680981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).