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Chemical ID: 7264079

Chemical ID:

7264079

Name [?]:

N-[2-[(4-ethoxyphenyl)methyl-methyl-carbamoyl]ethyl]furan-2-carboxamide

SMILES [?]:

CCOc1ccc(cc1)CN(C)C(=O)CCNC(=O)c2ccco2

InChi [?]:

InChI=1/C18H22N2O4/c1-3-23-15-8-6-14(7-9-15)13-20(2)17(21)10-11-19-18(22)16-5-4-12-24-16/h4-9,12H,3,10-11,13H2,1-2H3,(H,19,22)

InChi Info:

AuxInfo=1/1/N:1,12,2,22,21,6,8,5,9,15,16,23,10,7,4,20,13,18,17,11,14,19,3,24/E:(6,7)(8,9)/rA:24nCCOCCCCCCCNCCOCCNCOCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s11;d13;s13;s15;s16;s17;d18;s18;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₂N₂O₄
All Atoms:	46
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.67901
Area:	574.984
Solvation:	-4.69559
Coulombic:	-53.424

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	330.378
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.65
LogP (Chemaxon):	1.11

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

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Chemical Mix	Source	External ID	Descriptor	Value