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Chemical ID: 6876281

Chemical ID:

6876281

Name [?]:

4-[1-(aminocarbamoyl)ethoxy]-N-(2-ethylphenyl)-benzamide

SMILES [?]:

CCc1ccccc1NC(=O)c2ccc(cc2)OC(C)C(=O)NN

InChi [?]:

InChI=1/C18H21N3O3/c1-3-13-6-4-5-7-16(13)20-18(23)14-8-10-15(11-9-14)24-12(2)17(22)21-19/h4-12H,3,19H2,1-2H3,(H,20,23)(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,20,2,5,6,4,7,13,17,14,16,19,3,12,15,8,21,10,24,9,23,22,11,18/E:(8,9)(10,11)/rA:24cCCCCCCCCNCOCCCCCCOCCCONN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;s19;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁N₃O₃
All Atoms:	45
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	8.50279
Area:	553.15
Solvation:	-5.32596
Coulombic:	-57.1592

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	327.378
H-Bond Donors:	4
H-Bond Acceptors:	6
XLogP:	2.3
LogP (Chemaxon):	2.26

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value