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Chemical ID: 6006424
Chemical ID:
6006424
Name [?]:
N-cyclopropyl-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]cyclohexanecarboxamide
SMILES [?]:
COc1ccc(cc1)NC(=O)CNC(=O)CN(C2CC2)C(=O)C3CCCCC3
InChi [?]:
InChI=1/C21H29N3O4/c1-28-18-11-7-16(8-12-18)23-19(25)13-22-20(26)14-24(17-9-10-17)21(27)15-5-3-2-4-6-15/h7-8,11-12,15,17H,2-6,9-10,13-14H2,1H3,(H,22,26)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,24,28,5,7,19,20,4,8,12,16,23,6,18,3,10,14,21,13,9,17,11,15,22,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:28nCOCCCCCCNCOCNCOCNCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;s17;s18;s18s19;s17;d21;s21;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H29N3O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3255 |
Area: | 628.132 |
Solvation: | -5.37783 |
Coulombic: | -64.2928 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 387.473 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.13 |
LogP (Chemaxon): | 1.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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