Chemical ID: 6041982

CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCCC(C)C
Chemical ID:
6041982
Name [?]:
2-[8-(1,1-dimethylpropyl)-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl]-N-isopentyl-acetamide
SMILES [?]:
CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCCC(C)C
InChi [?]:
InChI=1/C20H30N2O3/c1-6-20(4,5)15-7-8-17-16(11-15)22(19(24)13-25-17)12-18(23)21-10-9-14(2)3/h7-8,11,14H,6,9-10,12-13H2,1-5H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,25,4,5,2,7,8,22,21,11,17,15,23,6,10,9,18,13,3,20,12,19,14,16/E:(2,3)(4,5)/rA:25nCCCCCCCCCCCNCOCOCCONCCCCC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s9s15;s12;s17;d18;s18;s20;s21;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30N2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.517
Area:583.55
Solvation:-4.07178
Coulombic:-46.9618
Bond Count [?]
All:26
Single:21
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:346.464
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.21
LogP (Chemaxon):3.08

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