Chemical ID: 7340523

CC(C(=O)NCc1ccc(cc1)OC)NC(=O)C2CCN(CC2)C(=O)C(Cc3ccccc3)N
Chemical ID:
7340523
Name [?]:
1-(2-amino-3-phenyl-propanoyl)-N-[1-[(4-methoxyphenyl)methylcarbamoyl]ethyl]piperidine-4-carboxamide
SMILES [?]:
CC(C(=O)NCc1ccc(cc1)OC)NC(=O)C2CCN(CC2)C(=O)C(Cc3ccccc3)N
InChi [?]:
InChI=1/C26H34N4O4/c1-18(24(31)28-17-20-8-10-22(34-2)11-9-20)29-25(32)21-12-14-30(15-13-21)26(33)23(27)16-19-6-4-3-5-7-19/h3-11,18,21,23H,12-17,27H2,1-2H3,(H,28,31)(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,14,31,30,32,29,33,8,12,9,11,19,23,20,22,27,6,2,28,7,18,10,26,3,16,24,34,5,15,21,4,17,25,13/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:34cCCCONCCCCCCCOCNCOCCCNCCCOCCCCCCCCN/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s2;s15;d16;s16;s18;s19;s20;s21;s18s22;s21;d24;s24;s26;s27;s28;d29;s30;d31;d28s32;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H34N4O4
All Atoms:68
Heavy Atoms:34
Chiral Atoms:2
ZAP Information [?]
Total:12.6751
Area:745.958
Solvation:-5.97382
Coulombic:-79.043
Bond Count [?]
All:36
Single:27
Double:9
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:466.573
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:1.75
LogP (Chemaxon):1.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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