N-[3-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide;N-[3-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide

C58H79F12N6O9P — CID 161479606

IUPACN-[3-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide;N-[3-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide
SMILESCCCN(CCCN(CCCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)C(=O)C(F)(F)F)C(=O)C(F)(F)F.CCCN(CCCN(CCCCOP(OCCC#N)N(C(C)C)C(C)C)C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C35H40F6N2O5.C23H39F6N4O4P/c1-4-21-42(31(44)34(36,37)38)23-10-24-43(32(45)35(39,40)41)22-8-9-25-48-33(26-11-6-5-7-12-26,27-13-17-29(46-2)18-14-27)28-15-19-30(47-3)20-16-28;1-6-12-31(20(34)22(24,25)26)14-10-15-32(21(35)23(27,28)29)13-7-8-16-36-38(37-17-9-11-30)33(18(2)3)19(4)5/h5-7,11-20H,4,8-10,21-25H2,1-3H3;18-19H,6-10,12-17H2,1-5H3
InChIKeyWEEHRUAJSFOVBE-UHFFFAOYSA-N
MW1263.25 g/mol
LogP13.02
Rot. Bonds35

About N-[3-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide;N-[3-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide

N-[3-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide;N-[3-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide (PubChem CID 161479606) has the molecular formula C58H79F12N6O9P and a molecular weight of 1263.25 g/mol. Its IUPAC name is N-[3-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide;N-[3-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide.

Molecular Properties

Compound NameN-[3-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide;N-[3-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide
PubChem CID161479606
Molecular FormulaC58H79F12N6O9P
Molecular Weight1263.25 g/mol
Exact Mass1262.55
IUPAC NameN-[3-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide;N-[3-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide
SMILESCCCN(CCCN(CCCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)C(=O)C(F)(F)F)C(=O)C(F)(F)F.CCCN(CCCN(CCCCOP(OCCC#N)N(C(C)C)C(C)C)C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C35H40F6N2O5.C23H39F6N4O4P/c1-4-21-42(31(44)34(36,37)38)23-10-24-43(32(45)35(39,40)41)22-8-9-25-48-33(26-11-6-5-7-12-26,27-13-17-29(46-2)18-14-27)28-15-19-30(47-3)20-16-28;1-6-12-31(20(34)22(24,25)26)14-10-15-32(21(35)23(27,28)29)13-7-8-16-36-38(37-17-9-11-30)33(18(2)3)19(4)5/h5-7,11-20H,4,8-10,21-25H2,1-3H3;18-19H,6-10,12-17H2,1-5H3
InChIKeyWEEHRUAJSFOVBE-UHFFFAOYSA-N
XLogP13.02
TPSA154.42 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds35
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001263.25
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-[3-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide;N-[3-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide 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

3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 10303642
3-[[di(propan-2-yl)amino]-[2-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyldisulfanyl]ethoxy]phosphanyl]oxypropanenitrile
CID 166138054
3-[[10-[bis(4-methoxyphenyl)-phenylmethoxy]-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]decoxy]-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 170904788
6-N-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]-2-N-[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropyl]-9,10-dioxoanthracene-2,6-disulfonamide
CID 102325768
3-[[(2R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 58798161
[4-[bis(4-methoxyphenyl)-phenylmethoxy]-1,1-bis(4-chlorophenyl)butyl] N-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexyl]carbamate
CID 59510431
3-[[di(propan-2-yl)amino]-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxyhexoxy]phosphanyl]oxypropanenitrile
CID 15451528
3-[[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-nitrophenyl]methoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 67087915
N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxymethyl]cyclohexyl]-8,8,8-trifluoro-7-oxooctanamide
CID 10909082
[(3E)-hexa-3,5-dienyl] N-[(3R)-5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentyl]carbamate
CID 11115322
3-[1-[5-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-2-nitrophenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 172625442
N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutan-2-yl]-6-(methylamino)hexanamide
CID 174267875

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide;N-[3-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide?
The IUPAC name of N-[3-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide;N-[3-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide (CID 161479606) is N-[3-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide;N-[3-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide.
What is the SMILES notation for N-[3-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide;N-[3-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide?
The canonical SMILES for N-[3-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide;N-[3-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide is CCCN(CCCN(CCCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)C(=O)C(F)(F)F)C(=O)C(F)(F)F.CCCN(CCCN(CCCCOP(OCCC#N)N(C(C)C)C(C)C)C(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of N-[3-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide;N-[3-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide?
The InChIKey is WEEHRUAJSFOVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40F6N2O5.C23H39F6N4O4P/c1-4-21-42(31(44)34(36,37)38)23-10-24-43(32(45)35(39,40)41)22-8-9-25-48-33(26-11-6-5-7-12-26,27-13-17-29(46-2)18-14-27)28-15-19-30(47-3)20-16-28;1-6-12-31(20(34)22(24,25)26)14-10-15-32(21(35)23(27,28)29)13-7-8-16-36-38(37-17-9-11-30)33(18(2)3)19(4)5/h5-7,11-20H,4,8-10,21-25H2,1-3H3;18-19H,6-10,12-17H2,1-5H3.
What are the key properties of N-[3-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide;N-[3-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide?
N-[3-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide;N-[3-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide has a molecular weight of 1263.25 g/mol, XLogP of 13.02, 35 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide;N-[3-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoro-N-propylacetamide is sourced from PubChem (CID 161479606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).