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Chemical ID: 6032321
Chemical ID:
6032321
Name [?]:
N-[2-[(4-diethylamino-1-methyl-butyl)carbamoyl]ethyl]-N-(2-furylmethyl)-2,5-dimethyl-furan-3-carboxamide
SMILES [?]:
CCN(CC)CCCC(C)NC(=O)CCN(Cc1ccco1)C(=O)c2cc(oc2C)C
InChi [?]:
InChI=1/C24H37N3O4/c1-6-26(7-2)13-8-10-18(3)25-23(28)12-14-27(17-21-11-9-15-30-21)24(29)22-16-19(4)31-20(22)5/h9,11,15-16,18H,6-8,10,12-14,17H2,1-5H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,5,10,31,30,2,4,7,20,8,19,14,6,15,21,26,17,9,27,29,18,25,12,23,11,3,16,13,24,22,28/E:(1,2)(6,7)/rA:31cCCNCCCCCCCNCOCCNCCCCCOCOCCCOCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;s18s21;s16;d23;s23;s25;d26;s27;d25s28;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H37N3O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.3282 |
Area: | 691.462 |
Solvation: | -4.95836 |
Coulombic: | -54.7491 |
Bond Count [?]
All: | 32 |
Single: | 26 |
Double: | 6 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 431.568 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.26 |
LogP (Chemaxon): | 1.81 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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