Chemical ID: 6032359

CCOC(=O)C1CCN(CC1)C(=O)CCN(C2CC2)C(=O)c3cc(oc3C)C
Chemical ID:
6032359
Name [?]:
ethyl 1-[3-[cyclopropyl-[(2,5-dimethyl-3-furyl)carbonyl]amino]propanoyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)CCN(C2CC2)C(=O)c3cc(oc3C)C
InChi [?]:
InChI=1/C21H30N2O5/c1-4-27-21(26)16-7-10-22(11-8-16)19(24)9-12-23(17-5-6-17)20(25)18-13-14(2)28-15(18)3/h13,16-17H,4-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,27,2,18,19,7,11,14,8,10,15,23,24,26,6,17,22,12,20,4,9,16,13,21,5,3,25/E:(5,6)(7,8)(10,11)/rA:28nCCOCOCCCNCCCOCCNCCCCOCCCOCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s15;s16;s17;s17s18;s16;d20;s20;s22;d23;s24;d22s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30N2O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.9781
Area:614.845
Solvation:-4.39303
Coulombic:-55.9116
Bond Count [?]
All:30
Single:25
Double:5
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:390.473
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.32
LogP (Chemaxon):0.58

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Descriptor Annotations

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