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Chemical ID: 5976304

CC(c1ccccc1)NC(=O)c2cc(ccc2N(C)C)NC(=O)c3ccc(cc3)C(C)(C)C

Chemical ID:

5976304

Name [?]:

2-dimethylamino-N-(1-phenylethyl)-5-(4-tert-butylbenzoyl)amino-benzamide

SMILES [?]:

CC(c1ccccc1)NC(=O)c2cc(ccc2N(C)C)NC(=O)c3ccc(cc3)C(C)(C)C

InChi [?]:

InChI=1/C28H33N3O2/c1-19(20-10-8-7-9-11-20)29-27(33)24-18-23(16-17-25(24)31(5)6)30-26(32)21-12-14-22(15-13-21)28(2,3)4/h7-19H,1-6H3,(H,29,33)(H,30,32)

InChi Info:

AuxInfo=1/1/N:1,31,32,33,19,20,6,5,7,4,8,25,29,26,28,15,16,13,2,3,24,27,14,12,17,22,10,30,9,21,18,23,11/E:(2,3,4)(5,6)(8,9)(10,11)(12,13)(14,15)/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;d27;d24s28;s27;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₃N₃O₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	13.8887
Area:	716.779
Solvation:	-4.0308
Coulombic:	-51.855

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	443.581
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	6.66
LogP (Chemaxon):	6.08

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value