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Chemical ID: 7270669

Chemical ID:

7270669

Name [?]:

N-benzyl-2-[(2-methoxy-1-methyl-ethyl)carbamoylmethoxy]benzamide

SMILES [?]:

CC(COC)NC(=O)COc1ccccc1C(=O)NCc2ccccc2

InChi [?]:

InChI=1/C20H24N2O4/c1-15(13-25-2)22-19(23)14-26-18-11-7-6-10-17(18)20(24)21-12-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,24)(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,5,24,23,25,14,13,22,26,15,12,20,3,9,2,21,16,11,7,17,19,6,8,18,4,10/E:(4,5)(8,9)/rA:26cCCCOCNCOCOCCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s2;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₂O₄
All Atoms:	50
Heavy Atoms:	26
Chiral Atoms:	1

ZAP Information [?]

Total:	8.18169
Area:	610.909
Solvation:	-7.09104
Coulombic:	-58.2325

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	356.416
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.49
LogP (Chemaxon):	1.64

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value