Chemical ID: 4371786

c1ccc(cc1)CC2CCN(CC2)Cc3ccc(cc3)C(=O)NCC4CCCO4
Chemical ID:
4371786
Name [?]:
4-[(4-benzyl-1-piperidyl)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
c1ccc(cc1)CC2CCN(CC2)Cc3ccc(cc3)C(=O)NCC4CCCO4
InChi [?]:
InChI=1/C25H32N2O2/c28-25(26-18-24-7-4-16-29-24)23-10-8-22(9-11-23)19-27-14-12-21(13-15-27)17-20-5-2-1-3-6-20/h1-3,5-6,8-11,21,24H,4,7,12-19H2,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,27,3,5,26,16,20,17,19,9,13,10,12,28,7,24,14,4,8,15,18,25,21,23,11,22,29/E:(2,3)(5,6)(8,9)(10,11)(12,13)(14,15)/rA:29cCCCCCCCCCCNCCCCCCCCCCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;s25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H32N2O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.6595
Area:657.799
Solvation:-3.7855
Coulombic:-37.7416
Bond Count [?]
All:32
Single:25
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:392.534
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.35
LogP (Chemaxon):3.73

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Descriptor Annotations

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