Chemical ID: 6016234

CC(C)(C)C(=O)N(CCCN1CCOCC1)CC(=O)N(Cc2ccccc2)Cc3ccco3
Chemical ID:
6016234
Name [?]:
N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-2,2-dimethyl-N-(3-morpholinopropyl)propanamide
SMILES [?]:
CC(C)(C)C(=O)N(CCCN1CCOCC1)CC(=O)N(Cc2ccccc2)Cc3ccco3
InChi [?]:
InChI=1/C26H37N3O4/c1-26(2,3)25(31)28(13-8-12-27-14-17-32-18-15-27)21-24(30)29(20-23-11-7-16-33-23)19-22-9-5-4-6-10-22/h4-7,9-11,16H,8,12-15,17-21H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,25,24,26,31,9,23,27,30,10,8,12,16,32,13,15,21,28,17,22,29,18,5,2,11,7,20,19,6,14,33/E:(1,2,3)(5,6)(9,10)(14,15)(17,18)/rA:33nCCCCCONCCCNCCOCCCCONCCCCCCCCCCCCO/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s7;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s20;s28;d29;s30;d31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H37N3O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.1937
Area:687.807
Solvation:-6.00149
Coulombic:-53.6889
Bond Count [?]
All:35
Single:28
Double:7
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:455.59
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.84
LogP (Chemaxon):2.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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