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Chemical ID: 4478477
Chemical ID:
4478477
Name [?]:
4-methoxy-N-[3-[3-(4-methoxybenzoyl)aminopropyl-methyl-amino]propyl]benzamide
SMILES [?]:
CN(CCCNC(=O)c1ccc(cc1)OC)CCCNC(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C23H31N3O4/c1-26(16-4-14-24-22(27)18-6-10-20(29-2)11-7-18)17-5-15-25-23(28)19-8-12-21(30-3)13-9-19/h6-13H,4-5,14-17H2,1-3H3,(H,24,27)(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,16,30,4,18,10,14,24,28,11,13,25,27,5,19,3,17,9,23,12,26,7,21,6,20,2,8,22,15,29/E:(2,3)(4,5)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(27,28)(29,30)/gE:(1,2)/rA:30nCNCCCNCOCCCCCCOCCCCNCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s2;s17;s18;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H31N3O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9668 |
Area: | 719.833 |
Solvation: | -6.02904 |
Coulombic: | -63.4201 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 413.51 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.04 |
LogP (Chemaxon): | 1.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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