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Chemical ID: 7038296
Chemical ID:
7038296
Name [?]:
N-[(3-methoxy-4-pentoxy-phenyl)-(3-methylbenzoyl)amino-methyl]-3-methyl-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1OC)C(NC(=O)c2cccc(c2)C)NC(=O)c3cccc(c3)C
InChi [?]:
InChI=1/C29H34N2O4/c1-5-6-7-16-35-25-15-14-22(19-26(25)34-4)27(30-28(32)23-12-8-10-20(2)17-23)31-29(33)24-13-9-11-21(3)18-24/h8-15,17-19,27H,5-7,16H2,1-4H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,25,35,14,2,3,4,21,31,22,32,20,30,9,8,5,24,34,11,23,33,10,19,29,7,12,15,17,27,16,26,18,28,13,6/E:(2,3)(8,9)(10,11)(12,13)(17,18)(20,21)(23,24)(28,29)(30,31)(32,33)/gE:(1,2)/rA:35nCCCCCOCCCCCCOCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s15;s26;d27;s27;s29;d30;s31;d32;d29s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H34N2O4 |
All Atoms: | 69 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9575 |
Area: | 781.972 |
Solvation: | -6.59182 |
Coulombic: | -60.8554 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 474.591 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.95 |
LogP (Chemaxon): | 5.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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