Chemical ID: 6032368

CCOC(=O)C1CCCN(C1)C(=O)CCN(CCOC)C(=O)c2cc(oc2C)C
Chemical ID:
6032368
Name [?]:
ethyl 1-[3-[(2,5-dimethyl-3-furyl)carbonyl-(2-methoxyethyl)amino]propanoyl]piperidine-3-carboxylate
SMILES [?]:
CCOC(=O)C1CCCN(C1)C(=O)CCN(CCOC)C(=O)c2cc(oc2C)C
InChi [?]:
InChI=1/C21H32N2O6/c1-5-28-21(26)17-7-6-9-23(14-17)19(24)8-10-22(11-12-27-4)20(25)18-13-15(2)29-16(18)3/h13,17H,5-12,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,28,20,2,8,7,14,9,15,17,18,24,11,25,27,6,23,12,21,4,16,10,13,22,5,19,3,26/rA:29cCCOCOCCCCNCCOCCNCCOCCOCCCOCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s10;d12;s12;s14;s15;s16;s17;s18;s19;s16;d21;s21;s23;d24;s25;d23s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H32N2O6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.0073
Area:670.884
Solvation:-6.76478
Coulombic:-62.7232
Bond Count [?]
All:30
Single:25
Double:5
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:408.489
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:0.59
LogP (Chemaxon):0.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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