Chemical ID: 5976593

CCOCCCNC(=O)c1cc(ccc1N(C)C)NC(=O)CC(C)CC(C)(C)C
Chemical ID:
5976593
Name [?]:
N-[4-dimethylamino-3-(3-ethoxypropylcarbamoyl)phenyl]-3,5,5-trimethyl-hexanamide
SMILES [?]:
CCOCCCNC(=O)c1cc(ccc1N(C)C)NC(=O)CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C23H39N3O3/c1-8-29-13-9-12-24-22(28)19-15-18(10-11-20(19)26(6)7)25-21(27)14-17(2)16-23(3,4)5/h10-11,15,17H,8-9,12-14,16H2,1-7H3,(H,24,28)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,24,27,28,29,17,18,2,5,13,14,6,4,22,11,25,23,12,10,15,20,8,26,7,19,16,21,9,3/E:(3,4,5)(6,7)/rA:29cCCOCCCNCOCCCCCCNCCNCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s16;s12;s19;d20;s20;s22;s23;s23;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H39N3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.1621
Area:699.096
Solvation:-5.31529
Coulombic:-55.3242
Bond Count [?]
All:29
Single:24
Double:5
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:405.574
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.06
LogP (Chemaxon):3.68

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Descriptor Annotations

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