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Chemical ID: 4158880

c1ccc(cc1)CNC(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3

Chemical ID:

4158880

Name [?]:

N-benzyl-4-(phenylcarbamoylmethoxy)benzamide

SMILES [?]:

c1ccc(cc1)CNC(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3

InChi [?]:

InChI=1/C22H20N2O3/c25-21(24-19-9-5-2-6-10-19)16-27-20-13-11-18(12-14-20)22(26)23-15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,23,26)(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,25,2,6,24,26,3,5,23,27,12,16,13,15,7,18,4,11,22,14,19,9,8,21,20,10,17/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCNCOCCCCCCOCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₀N₂O₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1496
Area:	612.459
Solvation:	-5.16186
Coulombic:	-52.0008

Bond Count [?]

All:	29
Single:	18
Double:	11
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	360.406
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.79
LogP (Chemaxon):	3.55

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