ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7529436

Chemical ID:

7529436

Name [?]:

N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dimethyl-pyrrole-3-carboxamide

SMILES [?]:

Cc1cc(c(n1c2ccc(cc2)OC)C)C(=O)NC3CCCCC3

InChi [?]:

InChI=1/C20H26N2O2/c1-14-13-19(20(23)21-16-7-5-4-6-8-16)15(2)22(14)17-9-11-18(24-3)12-10-17/h9-13,16H,4-8H2,1-3H3,(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,15,14,22,21,23,20,24,8,12,9,11,3,2,5,19,7,10,4,16,18,6,17,13/E:(5,6)(7,8)(9,10)(11,12)/rA:24nCCCCCNCCCCCCOCCCONCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s5;s4;d16;s16;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₆N₂O₂
All Atoms:	50
Heavy Atoms:	24
Chiral Atoms:	None

ZAP Information [?]

Total:	10.5394
Area:	546.766
Solvation:	-3.12977
Coulombic:	-34.8115

Bond Count [?]

All:	26
Single:	20
Double:	6
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.23
LogP (Chemaxon):	None

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value