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Chemical ID: 6006583

Cc1ccc(cc1)NC(=O)CNC(=O)CN(C2CC2)C(=O)CCc3ccccc3

Chemical ID:

6006583

Name [?]:

N-cyclopropyl-3-phenyl-N-(p-tolylcarbamoylmethylcarbamoylmethyl)propanamide

SMILES [?]:

Cc1ccc(cc1)NC(=O)CNC(=O)CN(C2CC2)C(=O)CCc3ccccc3

InChi [?]:

InChI=1/C23H27N3O3/c1-17-7-10-19(11-8-17)25-21(27)15-24-22(28)16-26(20-12-13-20)23(29)14-9-18-5-3-2-4-6-18/h2-8,10-11,20H,9,12-16H2,1H3,(H,24,28)(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,25,29,3,7,23,4,6,18,19,22,11,15,2,24,5,17,9,13,20,12,8,16,10,14,21/E:(3,4)(5,6)(7,8)(10,11)(12,13)/rA:29nCCCCCCCNCOCNCOCNCCCCOCCCCCCCC/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;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₇N₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2397
Area:	669.091
Solvation:	-4.48754
Coulombic:	-58.3864

Bond Count [?]

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

Chemical Properties

Molecular Weight:	393.479
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.44
LogP (Chemaxon):	2.57

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