Chemical ID: 6032186

CCN(CC)CCCC(C)NC(=O)CCN(Cc1ccco1)C(=O)c2ccoc2
Chemical ID:
6032186
Name [?]:
N-[2-[(4-diethylamino-1-methyl-butyl)carbamoyl]ethyl]-N-(2-furylmethyl)furan-3-carboxamide
SMILES [?]:
CCN(CC)CCCC(C)NC(=O)CCN(Cc1ccco1)C(=O)c2ccoc2
InChi [?]:
InChI=1/C22H33N3O4/c1-4-24(5-2)12-6-8-18(3)23-21(26)10-13-25(16-20-9-7-14-29-20)22(27)19-11-15-28-17-19/h7,9,11,14-15,17-18H,4-6,8,10,12-13,16H2,1-3H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,5,10,2,4,7,20,8,19,14,26,6,15,21,27,17,29,9,25,18,12,23,11,3,16,13,24,28,22/E:(1,2)(4,5)/rA:29cCCNCCCCCCCNCOCCNCCCCCOCOCCCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;s18s21;s16;d23;s23;s25;d26;s27;d25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H33N3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.9593
Area:682.402
Solvation:-5.10073
Coulombic:-55.0324
Bond Count [?]
All:30
Single:24
Double:6
Rotors:15
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:403.515
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.79
LogP (Chemaxon):1.79

Name Annotations

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Descriptor Annotations

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