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Chemical ID: 6036955
Chemical ID:
6036955
Name [?]:
N-(3-methoxypropyl)-N-[2-(sec-butylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CCC(C)NC(=O)CCN(CCCOC)C(=O)c1ccoc1
InChi [?]:
InChI=1/C16H26N2O4/c1-4-13(2)17-15(19)6-9-18(8-5-10-21-3)16(20)14-7-11-22-12-14/h7,11-13H,4-6,8-10H2,1-3H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,4,15,2,12,8,19,11,9,13,20,22,3,18,6,16,5,10,7,17,14,21/rA:22cCCCCNCOCCNCCCOCCOCCCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s10;d16;s16;s18;d19;s20;d18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.5967 |
Area: | 551.541 |
Solvation: | -5.19183 |
Coulombic: | -50.6095 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 310.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.91 |
LogP (Chemaxon): | 0.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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