Chemical ID: 5976597

CCC(c1ccccc1)C(=O)Nc2ccc(c(c2)C(=O)NCCCOCC)N(C)C
Chemical ID:
5976597
Name [?]:
2-dimethylamino-N-(3-ethoxypropyl)-5-(2-phenylbutanoylamino)benzamide
SMILES [?]:
CCC(c1ccccc1)C(=O)Nc2ccc(c(c2)C(=O)NCCCOCC)N(C)C
InChi [?]:
InChI=1/C24H33N3O3/c1-5-20(18-11-8-7-9-12-18)24(29)26-19-13-14-22(27(3)4)21(17-19)23(28)25-15-10-16-30-6-2/h7-9,11-14,17,20H,5-6,10,15-16H2,1-4H3,(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,27,29,30,2,26,7,6,8,23,5,9,14,15,22,24,18,4,13,3,17,16,19,10,21,12,28,20,11,25/E:(3,4)(8,9)(11,12)/rA:30cCCCCCCCCCCONCCCCCCCONCCCOCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s21;s22;s23;s24;s25;s26;s16;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H33N3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.9882
Area:695.739
Solvation:-5.40531
Coulombic:-56.6906
Bond Count [?]
All:31
Single:23
Double:8
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:411.537
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.79
LogP (Chemaxon):3.57

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Descriptor Annotations

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