Chemical ID: 6008104

CCOCCCNCC(=O)N(Cc1ccc2c(c1)OCO2)Cc3ccc(o3)C
Chemical ID:
6008104
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-(3-ethoxypropylamino)-N-[(5-methyl-2-furyl)methyl]acetamide
SMILES [?]:
CCOCCCNCC(=O)N(Cc1ccc2c(c1)OCO2)Cc3ccc(o3)C
InChi [?]:
InChI=1/C21H28N2O5/c1-3-25-10-4-9-22-12-21(24)23(14-18-7-5-16(2)28-18)13-17-6-8-19-20(11-17)27-15-26-19/h5-8,11,22H,3-4,9-10,12-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,5,25,14,24,15,6,4,18,8,12,22,20,26,13,23,16,17,9,7,11,10,3,21,19,27/rA:28nCCOCCCNCCONCCCCCCCOCOCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16s20;s11;s22;d23;s24;d25;s23s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28N2O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.75174
Area:657.828
Solvation:-6.69396
Coulombic:-55.359
Bond Count [?]
All:30
Single:24
Double:6
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:388.457
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.84
LogP (Chemaxon):1.4

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Descriptor Annotations

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