Chemical ID: 5895956

CC1CCN(CC1)c2ccc(cc2C(=O)NC3CC3)NC(=O)c4ccco4
Chemical ID:
5895956
Name [?]:
N-[3-(cyclopropylcarbamoyl)-4-(4-methyl-1-piperidyl)-phenyl]furan-2-carboxamide
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2C(=O)NC3CC3)NC(=O)c4ccco4
InChi [?]:
InChI=1/C21H25N3O3/c1-14-8-10-24(11-9-14)18-7-6-16(23-21(26)19-3-2-12-27-19)13-17(18)20(25)22-15-4-5-15/h2-3,6-7,12-15H,4-5,8-11H2,1H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,25,24,18,19,10,9,3,7,4,6,26,12,2,17,11,13,8,23,14,21,16,20,5,15,22,27/E:(4,5)(8,9)(10,11)/rA:27nCCCCNCCCCCCCCCONCCCNCOCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s17s18;s11;s20;d21;s21;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.954
Area:598.378
Solvation:-4.00542
Coulombic:-56.7538
Bond Count [?]
All:30
Single:23
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:367.442
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.22
LogP (Chemaxon):2.66

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Descriptor Annotations

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