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Chemical ID: 6006571

Chemical ID:

6006571

Name [?]:

N-cyclopropyl-N-(p-tolylcarbamoylmethylcarbamoylmethyl)acetamide

SMILES [?]:

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

InChi [?]:

InChI=1/C16H21N3O3/c1-11-3-5-13(6-4-11)18-15(21)9-17-16(22)10-19(12(2)20)14-7-8-14/h3-6,14H,7-10H2,1-2H3,(H,17,22)(H,18,21)

InChi Info:

AuxInfo=1/1/N:1,22,3,7,4,6,18,19,11,15,2,20,5,17,9,13,12,8,16,21,10,14/E:(3,4)(5,6)(7,8)/rA:22nCCCCCCCNCOCNCOCNCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s17s18;s16;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₁N₃O₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.01032
Area:	532.89
Solvation:	-4.31193
Coulombic:	-55.8978

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	303.356
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	0.74
LogP (Chemaxon):	0.33

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