Chemical ID: 6036943

CCC(C)NC(=O)CCN(CCC(C)C)C(=O)c1ccoc1
Chemical ID:
6036943
Name [?]:
N-isopentyl-N-[2-(sec-butylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CCC(C)NC(=O)CCN(CCC(C)C)C(=O)c1ccoc1
InChi [?]:
InChI=1/C17H28N2O3/c1-5-14(4)18-16(20)7-10-19(9-6-13(2)3)17(21)15-8-11-22-12-15/h8,11-14H,5-7,9-10H2,1-4H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,14,15,4,2,12,8,19,11,9,20,22,13,3,18,6,16,5,10,7,17,21/E:(2,3)/rA:22cCCCCNCOCCNCCCCCCOCCCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s12;s13;s13;s10;d16;s16;s18;d19;s20;d18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H28N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.3369
Area:549.459
Solvation:-3.39953
Coulombic:-44.3821
Bond Count [?]
All:22
Single:18
Double:4
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:308.416
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.6
LogP (Chemaxon):2.24

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