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Chemical ID: 5922318
Chemical ID:
5922318
Name [?]:
2-methyl-N-[[(5-methyl-2-furyl)methyl-phenethyl-carbamoyl]methyl]-N-pentyl-propanamide
SMILES [?]:
CCCCCN(CC(=O)N(CCc1ccccc1)Cc2ccc(o2)C)C(=O)C(C)C
InChi [?]:
InChI=1/C25H36N2O3/c1-5-6-10-16-27(25(29)20(2)3)19-24(28)26(18-23-14-13-21(4)30-23)17-15-22-11-8-7-9-12-22/h7-9,11-14,20H,5-6,10,15-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,30,25,2,3,16,15,17,4,14,18,22,21,12,5,11,19,7,28,23,13,20,8,26,10,6,9,27,24/E:(2,3)(8,9)(11,12)/rA:30nCCCCCNCCONCCCCCCCCCCCCCOCCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s10;s19;d20;s21;d22;s20s23;s23;s6;d26;s26;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H36N2O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2086 |
Area: | 702.561 |
Solvation: | -4.35539 |
Coulombic: | -41.3574 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 412.565 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.14 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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