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Chemical ID: 7500322

Chemical ID:

7500322

Name [?]:

2-hexanoylamino-N-(1-phenylethyl)benzamide

SMILES [?]:

CCCCCC(=O)Nc1ccccc1C(=O)NC(C)c2ccccc2

InChi [?]:

InChI=1/C21H26N2O2/c1-3-4-6-15-20(24)23-19-14-10-9-13-18(19)21(25)22-16(2)17-11-7-5-8-12-17/h5,7-14,16H,3-4,6,15H2,1-2H3,(H,22,25)(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,19,2,3,23,4,22,24,12,11,21,25,13,10,5,18,20,14,9,6,15,17,8,7,16/E:(7,8)(11,12)/rA:25cCCCCCCONCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s17;s18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆N₂O₂
All Atoms:	51
Heavy Atoms:	25
Chiral Atoms:	1

ZAP Information [?]

Total:	12.2804
Area:	593.848
Solvation:	-2.56579
Coulombic:	-45.2242

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	338.443
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	5.31
LogP (Chemaxon):	4.93

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