Chemical ID: 6036881

CCC(C)NC(=O)CCN(C1CC1)C(=O)c2ccoc2C
Chemical ID:
6036881
Name [?]:
N-cyclopropyl-2-methyl-N-[2-(sec-butylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CCC(C)NC(=O)CCN(C1CC1)C(=O)c2ccoc2C
InChi [?]:
InChI=1/C16H24N2O3/c1-4-11(2)17-15(19)7-9-18(13-5-6-13)16(20)14-8-10-21-12(14)3/h8,10-11,13H,4-7,9H2,1-3H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,4,21,2,12,13,8,17,9,18,3,20,11,16,6,14,5,10,7,15,19/E:(5,6)/rA:21cCCCCNCOCCNCCCCOCCCOCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s11s12;s10;d14;s14;s16;d17;s18;d16s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.38002
Area:500.499
Solvation:-3.13245
Coulombic:-43.3834
Bond Count [?]
All:22
Single:18
Double:4
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:292.373
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.52
LogP (Chemaxon):1.11

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue