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Chemical ID: 6032112
Chemical ID:
6032112
Name [?]:
N-[2-(dipropylcarbamoyl)ethyl]-N-isopropyl-furan-3-carboxamide
SMILES [?]:
CCCN(CCC)C(=O)CCN(C(C)C)C(=O)c1ccoc1
InChi [?]:
InChI=1/C17H28N2O3/c1-5-9-18(10-6-2)16(20)7-11-19(14(3)4)17(21)15-8-12-22-13-15/h8,12-14H,5-7,9-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,7,14,15,2,6,10,19,3,5,11,20,22,13,18,8,16,4,12,9,17,21/E:(1,2)(3,4)(5,6)(9,10)/rA:22nCCCNCCCCOCCNCCCCOCCCOC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s11;s12;s13;s13;s12;d16;s16;s18;d19;s20;d18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H28N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1743 |
Area: | 537.846 |
Solvation: | -3.2719 |
Coulombic: | -39.281 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 308.416 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.09 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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