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Chemical ID: 5370244
Chemical ID:
5370244
Name [?]:
N-[(4-isopentyloxy-3-methoxy-phenyl)-(3-methylbutanoylamino)methyl]-3-methyl-butanamide
SMILES [?]:
CC(C)CCOc1ccc(cc1OC)C(NC(=O)CC(C)C)NC(=O)CC(C)C
InChi [?]:
InChI=1/C23H38N2O4/c1-15(2)10-11-29-19-9-8-18(14-20(19)28-7)23(24-21(26)12-16(3)4)25-22(27)13-17(5)6/h8-9,14-17,23H,10-13H2,1-7H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,21,22,28,29,14,9,8,4,5,19,26,11,2,20,27,10,7,12,17,24,15,16,23,18,25,13,6/E:(1,2)(3,4,5,6)(12,13)(16,17)(21,22)(24,25)(26,27)/gE:(1,2)/rA:29nCCCCCOCCCCCCOCCNCOCCCCNCOCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;s20;s20;s15;s23;d24;s24;s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H38N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6333 |
Area: | 690.346 |
Solvation: | -6.62534 |
Coulombic: | -56.0173 |
Bond Count [?]
All: | 29 |
Single: | 24 |
Double: | 5 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 406.559 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.24 |
LogP (Chemaxon): | 4.11 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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