Chemical ID: 5892956

c1cc(oc1)C(=O)Nc2ccc(c(c2)C(=O)NCC3CCCO3)N4CCCC4
Chemical ID:
5892956
Name [?]:
N-[4-pyrrolidin-1-yl-3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
SMILES [?]:
c1cc(oc1)C(=O)Nc2ccc(c(c2)C(=O)NCC3CCCO3)N4CCCC4
InChi [?]:
InChI=1/C21H25N3O4/c25-20(22-14-16-5-3-11-27-16)17-13-15(23-21(26)19-6-4-12-28-19)7-8-18(17)24-9-1-2-10-24/h4,6-8,12-13,16H,1-3,5,9-11,14H2,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:26,27,21,1,20,2,10,11,25,28,22,5,14,18,9,19,13,12,3,15,6,17,8,24,16,7,23,4/E:(1,2)(9,10)/rA:28cCCCOCCONCCCCCCCONCCCCCONCCCC/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;s19;s20;s21;s19s22;s12;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.0188
Area:614.708
Solvation:-5.34895
Coulombic:-64.1274
Bond Count [?]
All:31
Single:24
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:383.441
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.17
LogP (Chemaxon):1.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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