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Chemical ID: 6006605

Cc1ccc(cc1)NC(=O)CNC(=O)CN(C2CC2)C(=O)COCc3ccccc3

Chemical ID:

6006605

Name [?]:

2-[2-[(2-benzyloxyacetyl)-cyclopropyl-amino]acetyl]amino-N-(p-tolyl)acetamide

SMILES [?]:

Cc1ccc(cc1)NC(=O)CNC(=O)CN(C2CC2)C(=O)COCc3ccccc3

InChi [?]:

InChI=1/C23H27N3O4/c1-17-7-9-19(10-8-17)25-21(27)13-24-22(28)14-26(20-11-12-20)23(29)16-30-15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,24,28)(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,28,27,29,26,30,3,7,4,6,18,19,11,15,24,22,2,25,5,17,9,13,20,12,8,16,10,14,21,23/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:30nCCCCCCCNCOCNCOCNCCCCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s17s18;s16;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₇N₃O₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2792
Area:	691.898
Solvation:	-7.01829
Coulombic:	-66.0425

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	409.478
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	1.93
LogP (Chemaxon):	1.83

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