Chemical ID: 5244632

CN(C)CCCNC(=O)c1cccc2c1c(ccc2)C(=O)O
Chemical ID:
5244632
Name [?]:
8-(3-dimethylaminopropylcarbamoyl)naphthalene-1-carboxylic acid
SMILES [?]:
CN(C)CCCNC(=O)c1cccc2c1c(ccc2)C(=O)O
InChi [?]:
InChI=1/C17H20N2O3/c1-19(2)11-5-10-18-16(20)13-8-3-6-12-7-4-9-14(15(12)13)17(21)22/h3-4,6-9H,5,10-11H2,1-2H3,(H,18,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,12,18,5,13,19,11,17,6,4,14,10,16,15,8,20,7,2,9,21,22/E:(1,2)(21,22)/rA:22nCNCCCCNCOCCCCCCCCCCCOO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;d16;s17;s14d18;s16;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.35548
Area:496.033
Solvation:-3.04535
Coulombic:-54.9346
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:300.352
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.52
LogP (Chemaxon):-3.38

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