Chemical ID: 5976308

CC(c1ccccc1)NC(=O)c2cc(ccc2N(C)C)NC(=O)c3ccc4ccccc4c3
Chemical ID:
5976308
Name [?]:
N-[4-dimethylamino-3-(1-phenylethylcarbamoyl)phenyl]naphthalene-2-carboxamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2cc(ccc2N(C)C)NC(=O)c3ccc4ccccc4c3
InChi [?]:
InChI=1/C28H27N3O2/c1-19(20-9-5-4-6-10-20)29-28(33)25-18-24(15-16-26(25)31(2)3)30-27(32)23-14-13-21-11-7-8-12-22(21)17-23/h4-19H,1-3H3,(H,29,33)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,19,20,6,5,7,29,30,4,8,28,31,26,25,15,16,33,13,2,3,27,32,24,14,12,17,22,10,9,21,18,23,11/E:(2,3)(5,6)(9,10)/rA:33cCCCCCCCCNCOCCCCCCNCCNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s18;s14;s21;d22;s22;s24;d25;s26;s27;d28;s29;d30;d27s31;d24s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H27N3O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.1171
Area:695.528
Solvation:-4.27108
Coulombic:-51.7501
Bond Count [?]
All:36
Single:23
Double:13
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:437.533
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:6.11
LogP (Chemaxon):5.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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