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Chemical ID: 5876685

Chemical ID:

5876685

Name [?]:

N-[1-(benzylcarbamoyl)-2-phenyl-ethyl]butanamide

SMILES [?]:

CCCC(=O)NC(Cc1ccccc1)C(=O)NCc2ccccc2

InChi [?]:

InChI=1/C20H24N2O2/c1-2-9-19(23)22-18(14-16-10-5-3-6-11-16)20(24)21-15-17-12-7-4-8-13-17/h3-8,10-13,18H,2,9,14-15H2,1H3,(H,21,24)(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,2,12,22,11,13,21,23,3,10,14,20,24,8,18,9,19,7,4,15,17,6,5,16/E:(5,6)(7,8)(10,11)(12,13)/rA:24cCCCCONCCCCCCCCCONCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;d10;s11;d12;d9s13;s7;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₂O₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	10.829
Area:	553.829
Solvation:	-3.01674
Coulombic:	-44.6988

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	324.417
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.38
LogP (Chemaxon):	3.16

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