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Chemical ID: 5922307
Chemical ID:
5922307
Name [?]:
N-isopentyl-N-[[(5-methyl-2-furyl)methyl-phenethyl-carbamoyl]methyl]-3-phenyl-propanamide
SMILES [?]:
Cc1ccc(o1)CN(CCc2ccccc2)C(=O)CN(CCC(C)C)C(=O)CCc3ccccc3
InChi [?]:
InChI=1/C30H38N2O3/c1-24(2)18-20-32(29(33)17-15-26-10-6-4-7-11-26)23-30(34)31(22-28-16-14-25(3)35-28)21-19-27-12-8-5-9-13-27/h4-14,16,24H,15,17-23H2,1-3H3
InChi Info:
AuxInfo=1/0/N:24,25,1,33,14,32,34,13,15,31,35,12,16,3,29,4,28,22,10,21,9,7,19,23,2,30,11,5,26,17,8,20,27,18,6/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:35nCCCCCOCNCCCCCCCCCOCNCCCCCCOCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s8;d17;s17;s19;s20;s21;s22;s23;s23;s20;d26;s26;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H38N2O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.6254 |
Area: | 783.63 |
Solvation: | -4.9653 |
Coulombic: | -42.1758 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 474.634 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.23 |
LogP (Chemaxon): | 5.18 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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