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Chemical ID: 6006433
Chemical ID:
6006433
Name [?]:
N-cyclopropyl-2-ethyl-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]hexanamide
SMILES [?]:
CCCCC(CC)C(=O)N(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C2CC2
InChi [?]:
InChI=1/C22H33N3O4/c1-4-6-7-16(5-2)22(28)25(18-10-11-18)15-21(27)23-14-20(26)24-17-8-12-19(29-3)13-9-17/h8-9,12-13,16,18H,4-7,10-11,14-15H2,1-3H3,(H,23,27)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,7,26,2,6,3,4,20,24,28,29,21,23,15,11,5,19,27,22,16,12,8,14,18,10,17,13,9,25/E:(8,9)(10,11)(12,13)/rA:29cCCCCCCCCONCCONCCONCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;s10;s27;s27s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H33N3O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5523 |
Area: | 672.539 |
Solvation: | -5.26113 |
Coulombic: | -65.0906 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 403.515 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.04 |
LogP (Chemaxon): | 2.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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