Chemical ID: 3936570

C#CC(=O)N(Cc1ccco1)C(c2ccccc2)C(=O)NC3CCCC3
Chemical ID:
3936570
Name [?]:
N-(cyclopentylcarbamoyl-phenyl-methyl)-N-(2-furylmethyl)prop-2-ynamide
SMILES [?]:
C#CC(=O)N(Cc1ccco1)C(c2ccccc2)C(=O)NC3CCCC3
InChi [?]:
InChI=1/C21H22N2O3/c1-2-19(24)23(15-18-13-8-14-26-18)20(16-9-4-3-5-10-16)21(25)22-17-11-6-7-12-17/h1,3-5,8-10,13-14,17,20H,6-7,11-12,15H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,24,25,9,14,18,23,26,8,10,6,13,22,7,3,12,19,21,5,4,20,11/E:(4,5)(6,7)(9,10)(11,12)/rA:26cCCCONCCCCCOCCCCCCCCONCCCCC/rB:t1;s2;d3;s3;s5;s6;d7;s8;d9;s7s10;s5;s12;s13;d14;s15;d16;d13s17;s12;d19;s19;s21;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.33489
Area:527.846
Solvation:-3.86127
Coulombic:-51.4816
Bond Count [?]
All:28
Single:20
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:350.411
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.54
LogP (Chemaxon):2.68

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue