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Chemical ID: 6818796

CCOCCCNC(=O)C(c1ccccc1)NC(=O)Cc2c[nH]c3c2cccc3

Chemical ID:

6818796

Name [?]:

N-(3-ethoxypropyl)-2-[2-(1H-indol-3-yl)acetyl]amino-2-phenyl-acetamide

SMILES [?]:

CCOCCCNC(=O)C(c1ccccc1)NC(=O)Cc2c[nH]c3c2cccc3

InChi [?]:

InChI=1/C23H27N3O3/c1-2-29-14-8-13-24-23(28)22(17-9-4-3-5-10-17)26-21(27)15-18-16-25-20-12-7-6-11-19(18)20/h3-7,9-12,16,22,25H,2,8,13-15H2,1H3,(H,24,28)(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,2,14,13,15,27,28,5,12,16,26,29,6,4,20,22,11,21,25,24,18,10,8,7,23,17,19,9,3/E:(4,5)(9,10)/rA:29cCCOCCCNCOCCCCCCCNCOCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s10;s17;d18;s18;s20;d21;s22;s23;s21s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₇N₃O₃
All Atoms:	56
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	11.3785
Area:	666.912
Solvation:	-5.29427
Coulombic:	-62.1519

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	393.479
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.65
LogP (Chemaxon):	2.59

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