Chemical ID: 5998379

CCCC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N(C)C
Chemical ID:
5998379
Name [?]:
2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl)-N,N-dimethyl-acetamide
SMILES [?]:
CCCC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N(C)C
InChi [?]:
InChI=1/C21H30N4O3/c1-4-8-18(26)23-13-11-21(12-14-23)20(28)24(15-19(27)22(2)3)16-25(21)17-9-6-5-7-10-17/h5-7,9-10H,4,8,11-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,28,2,20,19,21,3,18,22,8,10,7,11,23,15,17,4,24,12,9,26,6,14,16,5,25,13/E:(2,3)(6,7)(9,10)(11,12)(13,14)/rA:28cCCCCONCCCCCCONCNCCCCCCCCONCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s9s15;s16;s17;d18;s19;d20;d17s21;s14;s23;d24;s24;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30N4O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.83973
Area:601.395
Solvation:-5.19515
Coulombic:-55.3629
Bond Count [?]
All:30
Single:24
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:386.488
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:1.55
LogP (Chemaxon):1.13

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Descriptor Annotations

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