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Chemical ID: 6005110

Cc1cc(no1)NC(=O)CN(CCCN2CCOCC2)C(=O)c3ccc(cc3)C(C)(C)C

Chemical ID:

6005110

Name [?]:

N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-(3-morpholinopropyl)-4-tert-butyl-benzamide

SMILES [?]:

Cc1cc(no1)NC(=O)CN(CCCN2CCOCC2)C(=O)c3ccc(cc3)C(C)(C)C

InChi [?]:

InChI=1/C24H34N4O4/c1-18-16-21(26-32-18)25-22(29)17-28(11-5-10-27-12-14-31-15-13-27)23(30)19-6-8-20(9-7-19)24(2,3)4/h6-9,16H,5,10-15,17H2,1-4H3,(H,25,26,29)

InChi Info:

AuxInfo=1/1/N:1,30,31,32,13,24,28,25,27,14,12,16,20,17,19,3,10,2,23,26,4,8,21,29,7,5,15,11,9,22,18,6/E:(2,3,4)(6,7)(8,9)(12,13)(14,15)/rA:32nCCCCNONCOCNCCCNCCOCCCOCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s11;d21;s21;s23;d24;s25;d26;d23s27;s26;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₄N₄O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8901
Area:	701.68
Solvation:	-5.6519
Coulombic:	-55.1834

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	442.551
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.22
LogP (Chemaxon):	2.81

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