Chemical ID: 5014479

CCOC(=O)CCN(C1CCCCC1)C(=O)Nc2ccccc2
Chemical ID:
5014479
Name [?]:
ethyl 3-(cyclohexyl-(phenylcarbamoyl)amino)propanoate
SMILES [?]:
CCOC(=O)CCN(C1CCCCC1)C(=O)Nc2ccccc2
InChi [?]:
InChI=1/C18H26N2O3/c1-2-23-17(21)13-14-20(16-11-7-4-8-12-16)18(22)19-15-9-5-3-6-10-15/h3,5-6,9-10,16H,2,4,7-8,11-14H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,21,12,20,22,11,13,19,23,10,14,6,7,18,9,4,15,17,8,5,16,3/E:(5,6)(7,8)(9,10)(11,12)/rA:23nCCOCOCCNCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s9s13;s8;d15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H26N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.1451
Area:550.089
Solvation:-2.60713
Coulombic:-49.8161
Bond Count [?]
All:24
Single:19
Double:5
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:318.411
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.17
LogP (Chemaxon):3.28

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Descriptor Annotations

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