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Chemical ID: 7267278

CCN(CC(=O)NC(C)(C)C)C(=O)COc1ccc(cc1)C(=O)c2ccccc2

Chemical ID:

7267278

Name [?]:

2-[[2-(4-benzoylphenoxy)acetyl]-ethyl-amino]-N-tert-butyl-acetamide

SMILES [?]:

CCN(CC(=O)NC(C)(C)C)C(=O)COc1ccc(cc1)C(=O)c2ccccc2

InChi [?]:

InChI=1/C23H28N2O4/c1-5-25(15-20(26)24-23(2,3)4)21(27)16-29-19-13-11-18(12-14-19)22(28)17-9-7-6-8-10-17/h6-14H,5,15-16H2,1-4H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,9,10,11,2,27,26,28,25,29,18,20,17,21,4,14,24,19,16,5,12,22,8,7,3,6,13,23,15/E:(2,3,4)(7,8)(9,10)(11,12)(13,14)/rA:29nCCNCCONCCCCCOCOCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s8;s8;s3;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₈N₂O₄
All Atoms:	57
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2968
Area:	654.395
Solvation:	-6.06304
Coulombic:	-54.4417

Bond Count [?]

All:	30
Single:	21
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	396.479
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.7
LogP (Chemaxon):	2.29

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