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Chemical ID: 5976596

CCOCCCNC(=O)c1cc(ccc1N(C)C)NC(=O)C(c2ccccc2)c3ccccc3

Chemical ID:

5976596

Name [?]:

2-dimethylamino-5-(2,2-diphenylacetyl)amino-N-(3-ethoxypropyl)benzamide

SMILES [?]:

CCOCCCNC(=O)c1cc(ccc1N(C)C)NC(=O)C(c2ccccc2)c3ccccc3

InChi [?]:

InChI=1/C28H33N3O3/c1-4-34-19-11-18-29-27(32)24-20-23(16-17-25(24)31(2)3)30-28(33)26(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-17,20,26H,4,11,18-19H2,1-3H3,(H,29,32)(H,30,33)

InChi Info:

AuxInfo=1/1/N:1,17,18,2,26,32,25,27,31,33,5,24,28,30,34,13,14,6,4,11,23,29,12,10,15,22,8,20,7,19,16,9,21,3/E:(2,3)(5,6)(7,8,9,10)(12,13,14,15)(21,22)/rA:34nCCOCCCNCOCCCCCCNCCNCOCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s16;s12;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s22;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₃N₃O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8064
Area:	747.723
Solvation:	-5.88668
Coulombic:	-57.9699

Bond Count [?]

All:	36
Single:	25
Double:	11
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	459.58
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.68
LogP (Chemaxon):	4.39

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