Chemical ID: 4059614

CCc1ccc(cc1)NC(=O)N2CCCC(C2)C(=O)OCC
Chemical ID:
4059614
Name [?]:
ethyl 1-[(4-ethylphenyl)carbamoyl]piperidine-3-carboxylate
SMILES [?]:
CCc1ccc(cc1)NC(=O)N2CCCC(C2)C(=O)OCC
InChi [?]:
InChI=1/C17H24N2O3/c1-3-13-7-9-15(10-8-13)18-17(21)19-11-5-6-14(12-19)16(20)22-4-2/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,21,14,15,4,8,5,7,13,17,3,16,6,18,10,9,12,19,11,20/E:(7,8)(9,10)/rA:22cCCCCCCCCNCONCCCCCCOOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;d18;s18;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.5256
Area:531.325
Solvation:-2.75753
Coulombic:-49.2616
Bond Count [?]
All:23
Single:18
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:304.384
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.62
LogP (Chemaxon):3.03

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue