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Chemical ID: 5901967
Chemical ID:
5901967
Name [?]:
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1ccc(cc1)N2CCN(CC2)C(=O)CCC3CCCC3
InChi [?]:
InChI=1/C23H35N3O2/c1-23(2,3)22(28)24-19-9-11-20(12-10-19)25-14-16-26(17-15-25)21(27)13-8-18-6-4-5-7-18/h9-12,18H,4-8,13-17H2,1-3H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,3,4,26,27,25,28,23,9,13,10,12,22,15,19,16,18,24,8,11,20,5,2,7,14,17,21,6/E:(1,2,3)(4,5)(6,7)(9,10)(11,12)(14,15)(16,17)/rA:28nCCCCCONCCCCCCNCCNCCCOCCCCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;s23;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H35N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4099 |
Area: | 642.171 |
Solvation: | -3.64438 |
Coulombic: | -43.1732 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 385.543 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.36 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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