Chemical ID: 6013920

CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N(Cc2ccccc2)Cc3ccco3
Chemical ID:
6013920
Name [?]:
N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-2-methyl-N-(2-morpholinoethyl)propanamide
SMILES [?]:
CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N(Cc2ccccc2)Cc3ccco3
InChi [?]:
InChI=1/C24H33N3O4/c1-20(2)24(29)26(11-10-25-12-15-30-16-13-25)19-23(28)27(18-22-9-6-14-31-22)17-21-7-4-3-5-8-21/h3-9,14,20H,10-13,15-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,23,22,24,29,21,25,28,8,7,10,14,30,11,13,19,26,15,2,20,27,16,4,9,6,18,17,5,12,31/E:(1,2)(4,5)(7,8)(12,13)(15,16)/rA:31nCCCCONCCNCCOCCCCONCCCCCCCCCCCCO/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s10;s11;s12;s9s13;s6;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s18;s26;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H33N3O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.5561
Area:658.949
Solvation:-5.91764
Coulombic:-53.3296
Bond Count [?]
All:33
Single:26
Double:7
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:427.537
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.28
LogP (Chemaxon):1.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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