ChemDB: Chemical Search
Download
Chemical ID: 6003778
Chemical ID:
6003778
Name [?]:
N-(2-methoxyethyl)-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]butanamide
SMILES [?]:
CCCC(=O)N(CCOC)CC(=O)NCC(=O)Nc1ccc(cc1)OC
InChi [?]:
InChI=1/C18H27N3O5/c1-4-5-18(24)21(10-11-25-2)13-17(23)19-12-16(22)20-14-6-8-15(26-3)9-7-14/h6-9H,4-5,10-13H2,1-3H3,(H,19,23)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,10,26,2,3,20,24,21,23,7,8,15,11,19,22,16,12,4,14,18,6,17,13,5,9,25/E:(6,7)(8,9)/rA:26nCCCCONCCOCCCONCCONCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6;s11;d12;s12;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H27N3O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.09328 |
Area: | 628.145 |
Solvation: | -6.61034 |
Coulombic: | -71.1098 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 365.424 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 0.31 |
LogP (Chemaxon): | 0.07 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|