Chemical ID: 7020120

CCCCOc1ccc(cc1)C(NC(=O)c2ccc(cc2)C)NC(=O)c3ccc(cc3)C
Chemical ID:
7020120
Name [?]:
N-[(4-butoxyphenyl)-(4-methylbenzoyl)amino-methyl]-4-methyl-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(NC(=O)c2ccc(cc2)C)NC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C27H30N2O3/c1-4-5-18-32-24-16-14-21(15-17-24)25(28-26(30)22-10-6-19(2)7-11-22)29-27(31)23-12-8-20(3)9-13-23/h6-17,25H,4-5,18H2,1-3H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,22,32,2,3,18,20,28,30,17,21,27,31,8,10,7,11,4,19,29,9,16,26,6,12,14,24,13,23,15,25,5/E:(2,3)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(19,20)(22,23)(26,27)(28,29)(30,31)/gE:(1,2)/rA:32nCCCCOCCCCCCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s12;s23;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30N2O3
All Atoms:62
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.5627
Area:721.507
Solvation:-4.47497
Coulombic:-54.4191
Bond Count [?]
All:34
Single:23
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:430.539
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:6.73
LogP (Chemaxon):5.71

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