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Chemical ID: 6632647

CCN(CC)c1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC3CCCCC3

Chemical ID:

6632647

Name [?]:

N'-[2-(cyclohexylcarbamoyl)phenyl]-N-[(4-diethylaminophenyl)methyleneamino]oxamide

SMILES [?]:

CCN(CC)c1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC3CCCCC3

InChi [?]:

InChI=1/C26H33N5O3/c1-3-31(4-2)21-16-14-19(15-17-21)18-27-30-26(34)25(33)29-23-13-9-8-12-22(23)24(32)28-20-10-6-5-7-11-20/h8-9,12-18,20H,3-7,10-11H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,32,31,33,23,22,30,34,24,21,8,10,7,11,12,9,29,6,25,20,26,17,15,13,28,19,14,3,27,18,16/E:(1,2)(3,4)(6,7)(10,11)(14,15)(16,17)/rA:34nCCNCCCCCCCCCNNCOCONCCCCCCCONCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;d26;s26;s28;s29;s30;s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₃N₅O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	14.4867
Area:	735.105
Solvation:	-3.89089
Coulombic:	-73.5536

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	12
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	463.572
H-Bond Donors:	3
H-Bond Acceptors:	8
XLogP:	5.74
LogP (Chemaxon):	5.06

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

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Chemical Mix	Source	External ID	Descriptor	Value