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Chemical ID: 3869295
Chemical ID:
3869295
Name [?]:
N-[3-(3-cyclopentylpropanoylamino)phenyl]furan-2-carboxamide
SMILES [?]:
c1cc(cc(c1)NC(=O)c2ccco2)NC(=O)CCC3CCCC3
InChi [?]:
InChI=1/C19H22N2O3/c22-18(11-10-14-5-1-2-6-14)20-15-7-3-8-16(13-15)21-19(23)17-9-4-12-24-17/h3-4,7-9,12-14H,1-2,5-6,10-11H2,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:22,23,1,12,21,24,2,6,11,19,18,13,4,20,3,5,10,16,8,15,7,17,9,14/E:(1,2)(5,6)/rA:24nCCCCCCNCOCCCCONCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;d10;s11;d12;s10s13;s3;s15;d16;s16;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6619 |
Area: | 559.136 |
Solvation: | -3.31647 |
Coulombic: | -50.3835 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 326.39 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.64 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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