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Chemical ID: 6032552
Chemical ID:
6032552
Name [?]:
N-butyl-1-[(2,5-dimethyl-3-furyl)carbonyl]piperidine-3-carboxamide
SMILES [?]:
CCCCNC(=O)C1CCCN(C1)C(=O)c2cc(oc2C)C
InChi [?]:
InChI=1/C17H26N2O3/c1-4-5-8-18-16(20)14-7-6-9-19(11-14)17(21)15-10-12(2)22-13(15)3/h10,14H,4-9,11H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,22,21,2,3,10,9,4,11,17,13,18,20,8,16,6,14,5,12,7,15,19/rA:22cCCCCNCOCCCCNCCOCCCOCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s12;d14;s14;s16;d17;s18;d16s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1327 |
Area: | 538.982 |
Solvation: | -3.34184 |
Coulombic: | -43.9151 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 306.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.7 |
LogP (Chemaxon): | 1.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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