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Chemical ID: 6005214

Cc1cc(no1)NC(=O)CN(CC2CCCCC2)C(=O)c3ccc4c(c3)OCO4

Chemical ID:

6005214

Name [?]:

N-(cyclohexylmethyl)-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzo[1,3]dioxole-5-carboxamide

SMILES [?]:

Cc1cc(no1)NC(=O)CN(CC2CCCCC2)C(=O)c3ccc4c(c3)OCO4

InChi [?]:

InChI=1/C21H25N3O5/c1-14-9-19(23-29-14)22-20(25)12-24(11-15-5-3-2-4-6-15)21(26)16-7-8-17-18(10-16)28-13-27-17/h7-10,15H,2-6,11-13H2,1H3,(H,22,23,25)

InChi Info:

AuxInfo=1/1/N:1,16,15,17,14,18,22,23,3,26,12,10,28,2,13,21,24,25,4,8,19,7,5,11,9,20,29,27,6/E:(3,4)(5,6)/rA:29nCCCCNONCOCNCCCCCCCCOCCCCCCOCO/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;s11;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₅N₃O₅
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.66544
Area:	608.384
Solvation:	-5.54417
Coulombic:	-56.9576

Bond Count [?]

All:	32
Single:	25
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	399.44
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.79
LogP (Chemaxon):	3.07

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