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Chemical ID: 6014112
Chemical ID:
6014112
Name [?]:
N-[[benzyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-3-methyl-N-(tetrahydrofuran-2-ylmethyl)butanamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(CC3CCCO3)C(=O)CC(C)C
InChi [?]:
InChI=1/C25H34N2O4/c1-19(2)14-24(28)27(16-22-10-7-13-30-22)18-25(29)26(15-21-8-5-4-6-9-21)17-23-12-11-20(3)31-23/h4-6,8-9,11-12,19,22H,7,10,13-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:30,31,1,13,12,14,23,11,15,22,3,4,24,28,9,20,7,18,29,2,10,21,5,26,16,8,19,27,17,25,6/E:(1,2)(5,6)(8,9)/rA:31cCCCCCOCNCCCCCCCCOCNCCCCCOCOCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s23;s21s24;s19;d26;s26;s28;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H34N2O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2263 |
Area: | 670.462 |
Solvation: | -5.5352 |
Coulombic: | -48.3004 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 426.549 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.2 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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