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Chemical ID: 3871090

CCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)c2ccc(o2)CN3CCOCC3

Chemical ID:

3871090

Name [?]:

N-(2-ethoxyphenyl)-5-(morpholinomethyl)-N-(tert-butylcarbamoylmethyl)furan-2-carboxamide

SMILES [?]:

CCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)c2ccc(o2)CN3CCOCC3

InChi [?]:

InChI=1/C24H33N3O5/c1-5-31-20-9-7-6-8-19(20)27(17-22(28)25-24(2,3)4)23(29)21-11-10-18(32-21)16-26-12-14-30-15-13-26/h6-11H,5,12-17H2,1-4H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,16,17,18,2,7,6,8,5,23,22,28,32,29,31,26,11,24,9,4,21,12,19,15,14,27,10,13,20,30,3,25/E:(2,3,4)(12,13)(14,15)/rA:32nCCOCCCCCCNCCONCCCCCOCCCCOCNCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;s15;s15;s10;d19;s19;d21;s22;d23;s21s24;s24;s26;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₃N₃O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	8.81329
Area:	610.365
Solvation:	-6.44582
Coulombic:	-65.0381

Bond Count [?]

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

Chemical Properties

Molecular Weight:	443.536
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	2.01
LogP (Chemaxon):	0.98

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