Chemical ID: 5892953

c1cc(c(cc1NC(=O)C2CC2)C(=O)NCC3CCCO3)N4CCCC4
Chemical ID:
5892953
Name [?]:
5-cyclopropylcarbonylamino-2-pyrrolidin-1-yl-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
c1cc(c(cc1NC(=O)C2CC2)C(=O)NCC3CCCO3)N4CCCC4
InChi [?]:
InChI=1/C20H27N3O3/c24-19(14-5-6-14)22-15-7-8-18(23-9-1-2-10-23)17(12-15)20(25)21-13-16-4-3-11-26-16/h7-8,12,14,16H,1-6,9-11,13H2,(H,21,25)(H,22,24)
InChi Info:
AuxInfo=1/1/N:24,25,19,18,11,12,1,2,23,26,20,5,16,10,6,17,4,3,8,13,15,7,22,9,14,21/E:(1,2)(5,6)(9,10)/rA:26cCCCCCCNCOCCCCONCCCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s10s11;s4;d13;s13;s15;s16;s17;s18;s19;s17s20;s3;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.68887
Area:590.73
Solvation:-5.07937
Coulombic:-54.1304
Bond Count [?]
All:29
Single:24
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:357.447
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.96
LogP (Chemaxon):1.78

Name Annotations

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Descriptor Annotations

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