Chemical ID: 7481682

c1ccc(cc1)CCC(=O)Nc2ccccc2C(=O)NCC3CCCO3
Chemical ID:
7481682
Name [?]:
2-(3-phenylpropanoylamino)-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
c1ccc(cc1)CCC(=O)Nc2ccccc2C(=O)NCC3CCCO3
InChi [?]:
InChI=1/C21H24N2O3/c24-20(13-12-16-7-2-1-3-8-16)23-19-11-5-4-10-18(19)21(25)22-15-17-9-6-14-26-17/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,14,24,3,5,23,16,13,7,8,25,21,4,22,17,12,9,18,20,11,10,19,26/E:(2,3)(7,8)/rA:26cCCCCCCCCCONCCCCCCCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s20;s21;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N2O3
All Atoms:50
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.9505
Area:595.81
Solvation:-3.94473
Coulombic:-51.7582
Bond Count [?]
All:28
Single:20
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:352.427
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.16
LogP (Chemaxon):3.39

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Descriptor Annotations

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