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Chemical ID: 5911690
Chemical ID:
5911690
Name [?]:
N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-N-cyclohexyl-cyclobutanecarboxamide
SMILES [?]:
c1ccc(cc1)CN(Cc2ccco2)C(=O)CN(C3CCCCC3)C(=O)C4CCC4
InChi [?]:
InChI=1/C25H32N2O3/c28-24(19-27(22-13-5-2-6-14-22)25(29)21-11-7-12-21)26(18-23-15-8-16-30-23)17-20-9-3-1-4-10-20/h1,3-4,8-10,15-16,21-22H,2,5-7,11-14,17-19H2
InChi Info:
AuxInfo=1/0/N:1,22,2,6,21,23,29,12,3,5,28,30,20,24,11,13,7,9,17,4,27,19,10,15,25,8,18,16,26,14/E:(3,4)(5,6)(9,10)(11,12)(13,14)/rA:30nCCCCCCCNCCCCCOCOCNCCCCCCCOCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;s10s13;s8;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s18;d25;s25;s27;s28;s27s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H32N2O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4375 |
Area: | 603.172 |
Solvation: | -4.64176 |
Coulombic: | -40.6355 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 408.533 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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