Chemical ID: 5873756

CCN(CC)CCCC(C)N(Cc1ccc(cc1)OCC)C(=O)c2ccccc2
Chemical ID:
5873756
Name [?]:
N-(4-diethylamino-1-methyl-butyl)-N-[(4-ethoxyphenyl)methyl]benzamide
SMILES [?]:
CCN(CC)CCCC(C)N(Cc1ccc(cc1)OCC)C(=O)c2ccccc2
InChi [?]:
InChI=1/C25H36N2O2/c1-5-26(6-2)19-11-12-21(4)27(25(28)23-13-9-8-10-14-23)20-22-15-17-24(18-16-22)29-7-3/h8-10,13-18,21H,5-7,11-12,19-20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,21,10,2,4,20,27,26,28,7,8,25,29,14,18,15,17,6,12,9,13,24,16,22,3,11,23,19/E:(1,2)(5,6)(9,10)(13,14)(15,16)(17,18)/rA:29cCCNCCCCCCCNCCCCCCCOCCCOCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;s11;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H36N2O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.4861
Area:637.956
Solvation:-3.46277
Coulombic:-32.95
Bond Count [?]
All:30
Single:23
Double:7
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:396.566
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.49
LogP (Chemaxon):4.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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