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Chemical ID: 6006866
Chemical ID:
6006866
Name [?]:
N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]-3,3-dimethyl-butanamide
SMILES [?]:
CC(C)(C)CC(=O)N(CC1CC1)CC(=O)NCC(=O)Nc2ccc(cc2)OC
InChi [?]:
InChI=1/C21H31N3O4/c1-21(2,3)11-20(27)24(13-15-5-6-15)14-19(26)22-12-18(25)23-16-7-9-17(28-4)10-8-16/h7-10,15H,5-6,11-14H2,1-4H3,(H,22,26)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,3,4,28,11,12,22,26,23,25,5,17,9,13,10,21,24,18,14,6,2,16,20,8,19,15,7,27/E:(1,2,3)(5,6)(7,8)(9,10)/rA:28nCCCCCCONCCCCCCONCCONCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s10s11;s8;s13;d14;s14;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H31N3O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1408 |
Area: | 657.111 |
Solvation: | -5.28695 |
Coulombic: | -64.463 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 389.489 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.35 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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