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Chemical ID: 5976597
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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