Chemical ID: 5278749

CCC1CCCCN1C(=O)NC(C(C)CC)C(=O)OC
Chemical ID:
5278749
Name [?]:
methyl 2-[(2-ethyl-1-piperidyl)carbonylamino]-3-methyl-pentanoate
SMILES [?]:
CCC1CCCCN1C(=O)NC(C(C)CC)C(=O)OC
InChi [?]:
InChI=1/C15H28N2O3/c1-5-11(3)13(14(18)20-4)16-15(19)17-10-8-7-9-12(17)6-2/h11-13H,5-10H2,1-4H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:16,1,14,20,15,2,5,6,4,7,13,3,12,17,9,11,8,18,10,19/rA:20cCCCCCCCNCONCCCCCCOOC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;s9;s11;s12;s13;s13;s15;s12;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H28N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:10.1778
Area:485.06
Solvation:-1.94874
Coulombic:-51.3176
Bond Count [?]
All:20
Single:18
Double:2
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:284.395
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.63
LogP (Chemaxon):2.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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