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Chemical ID: 6402998

Chemical ID:

6402998

Name [?]:

N-(2-diethylaminoethyl)-2-(phenylcarbamoylamino)benzamide

SMILES [?]:

CCN(CC)CCNC(=O)c1ccccc1NC(=O)Nc2ccccc2

InChi [?]:

InChI=1/C20H26N4O2/c1-3-24(4-2)15-14-21-19(25)17-12-8-9-13-18(17)23-20(26)22-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,21,25)(H2,22,23,26)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,24,23,25,13,14,22,26,12,15,7,6,21,11,16,9,18,8,20,17,3,10,19/E:(1,2)(3,4)(6,7)(10,11)/rA:26nCCNCCCCNCOCCCCCCNCONCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₆N₄O₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2128
Area:	606.808
Solvation:	-2.95739
Coulombic:	-62.7134

Bond Count [?]

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

Chemical Properties

Molecular Weight:	354.446
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	3.01
LogP (Chemaxon):	3.31

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value