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Chemical ID: 5909128
Chemical ID:
5909128
Name [?]:
N-[(2-furylmethyl-phenethyl-carbamoyl)methyl]-N-propyl-cyclopropanecarboxamide
SMILES [?]:
CCCN(CC(=O)N(CCc1ccccc1)Cc2ccco2)C(=O)C3CC3
InChi [?]:
InChI=1/C22H28N2O3/c1-2-13-24(22(26)19-10-11-19)17-21(25)23(16-20-9-6-15-27-20)14-12-18-7-4-3-5-8-18/h3-9,15,19H,2,10-14,16-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,20,12,16,19,26,27,10,3,9,21,17,5,11,25,18,6,23,8,4,7,24,22/E:(4,5)(7,8)(10,11)/rA:27nCCCNCCONCCCCCCCCCCCCCOCOCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s8;s17;d18;s19;d20;s18s21;s4;d23;s23;s25;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28N2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3519 |
Area: | 624.242 |
Solvation: | -4.25418 |
Coulombic: | -40.967 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 368.469 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.43 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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