Chemical ID: 5375441

CCN(c1cccc2c1cccc2)C(=O)COC(=O)c3ccc(cc3)O
Chemical ID:
5375441
Name [?]:
(ethyl-(1-naphthyl)carbamoyl)methyl 4-hydroxybenzoate
SMILES [?]:
CCN(c1cccc2c1cccc2)C(=O)COC(=O)c3ccc(cc3)O
InChi [?]:
InChI=1/C21H19NO4/c1-2-22(19-9-5-7-15-6-3-4-8-18(15)19)20(24)14-26-21(25)16-10-12-17(23)13-11-16/h3-13,23H,2,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,11,6,13,7,10,5,21,25,22,24,16,8,20,23,9,4,14,18,3,26,15,19,17/E:(10,11)(12,13)/rA:26nCCNCCCCCCCCCCCOCOCOCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s3;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.80038
Area:565.954
Solvation:-4.34848
Coulombic:-53.8379
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:349.38
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.12
LogP (Chemaxon):3.51

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