Chemical ID: 6016590

CCCCC(=O)N(CC1CCCO1)CC(=O)N(Cc2ccc(cc2)F)Cc3ccco3
Chemical ID:
6016590
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-N-(tetrahydrofuran-2-ylmethyl)pentanamide
SMILES [?]:
CCCCC(=O)N(CC1CCCO1)CC(=O)N(Cc2ccc(cc2)F)Cc3ccco3
InChi [?]:
InChI=1/C24H31FN2O4/c1-2-3-8-23(28)27(17-22-7-5-14-31-22)18-24(29)26(16-21-6-4-13-30-21)15-19-9-11-20(25)12-10-19/h4,6,9-13,22H,2-3,5,7-8,14-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,29,11,28,10,4,20,24,21,23,30,12,18,26,8,14,19,22,27,9,5,15,25,17,7,6,16,31,13/E:(9,10)(11,12)/rA:31cCCCCCONCCCCCOCCONCCCCCCCFCCCCCO/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s9s12;s7;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;s17;s26;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H31FN2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.0717
Area:676.809
Solvation:-6.8485
Coulombic:-51.0166
Bond Count [?]
All:33
Single:26
Double:7
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:430.512
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.19
LogP (Chemaxon):2.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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