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Chemical ID: 6036881
Chemical ID:
6036881
Name [?]:
N-cyclopropyl-2-methyl-N-[2-(sec-butylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CCC(C)NC(=O)CCN(C1CC1)C(=O)c2ccoc2C
InChi [?]:
InChI=1/C16H24N2O3/c1-4-11(2)17-15(19)7-9-18(13-5-6-13)16(20)14-8-10-21-12(14)3/h8,10-11,13H,4-7,9H2,1-3H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,4,21,2,12,13,8,17,9,18,3,20,11,16,6,14,5,10,7,15,19/E:(5,6)/rA:21cCCCCNCOCCNCCCCOCCCOCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s11s12;s10;d14;s14;s16;d17;s18;d16s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.38002 |
Area: | 500.499 |
Solvation: | -3.13245 |
Coulombic: | -43.3834 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 292.373 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.52 |
LogP (Chemaxon): | 1.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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