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Chemical ID: 6006779
Chemical ID:
6006779
Name [?]:
N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]-N-(3-methoxypropyl)pentanamide
SMILES [?]:
CCCCC(=O)N(CCCOC)CC(=O)NCC(=O)Nc1ccc(cc1)OC
InChi [?]:
InChI=1/C20H31N3O5/c1-4-5-7-20(26)23(12-6-13-27-2)15-19(25)21-14-18(24)22-16-8-10-17(28-3)11-9-16/h8-11H,4-7,12-15H2,1-3H3,(H,21,25)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,12,28,2,3,9,4,22,26,23,25,8,10,17,13,21,24,18,14,5,16,20,7,19,15,6,11,27/E:(8,9)(10,11)/rA:28nCCCCCONCCCOCCCONCCONCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s7;s13;d14;s14;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H31N3O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.86776 |
Area: | 690.49 |
Solvation: | -7.3945 |
Coulombic: | -70.6953 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 393.477 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 1.24 |
LogP (Chemaxon): | 0.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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