N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C23H29F3NO6P — CID 57328667

IUPACN-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCCCOP(=O)(OCCC)C(NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(OC)cc1
InChIInChI=1S/C23H29F3NO6P/c1-4-13-32-34(29,33-14-5-2)22(17-9-11-19(30-3)12-10-17)27-21(28)16-31-20-8-6-7-18(15-20)23(24,25)26/h6-12,15,22H,4-5,13-14,16H2,1-3H3,(H,27,28)
InChIKeyABGGQKXZCFFGQR-UHFFFAOYSA-N
MW503.45 g/mol
LogP5.95
Rot. Bonds13

About N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 57328667) has the molecular formula C23H29F3NO6P and a molecular weight of 503.45 g/mol. Its IUPAC name is N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID57328667
Molecular FormulaC23H29F3NO6P
Molecular Weight503.45 g/mol
Exact Mass503.17
IUPAC NameN-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCCCOP(=O)(OCCC)C(NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(OC)cc1
InChIInChI=1S/C23H29F3NO6P/c1-4-13-32-34(29,33-14-5-2)22(17-9-11-19(30-3)12-10-17)27-21(28)16-31-20-8-6-7-18(15-20)23(24,25)26/h6-12,15,22H,4-5,13-14,16H2,1-3H3,(H,27,28)
InChIKeyABGGQKXZCFFGQR-UHFFFAOYSA-N
XLogP5.95
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.45
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide 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

2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide
CID 57328666
N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154
methyl 3-methyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]pentanoate
CID 112791627
2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4733098
(2S)-4-methyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]pentanoic acid
CID 119361630
2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
CID 4844211
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 56524776
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55588029
N-[(1S)-1-(furan-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9481831
N-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758350
N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 112778632
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853982

Frequently Asked Questions

What is the IUPAC name of N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 57328667) is N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is CCCOP(=O)(OCCC)C(NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(OC)cc1.
What is the InChIKey of N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is ABGGQKXZCFFGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3NO6P/c1-4-13-32-34(29,33-14-5-2)22(17-9-11-19(30-3)12-10-17)27-21(28)16-31-20-8-6-7-18(15-20)23(24,25)26/h6-12,15,22H,4-5,13-14,16H2,1-3H3,(H,27,28).
What are the key properties of N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 503.45 g/mol, XLogP of 5.95, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 57328667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).