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Chemical ID: 5553415

Chemical ID:

5553415

Name [?]:

3-(benzyl-ethyl-amino)-N-phenyl-propanamide

SMILES [?]:

CCN(CCC(=O)Nc1ccccc1)Cc2ccccc2

InChi [?]:

InChI=1/C18H22N2O/c1-2-20(15-16-9-5-3-6-10-16)14-13-18(21)19-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,2,19,12,18,20,11,13,17,21,10,14,5,4,15,16,9,6,8,3,7/E:(5,6)(7,8)(9,10)(11,12)/rA:21cCCNCCCONCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s3;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₂N₂O
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	10.3374
Area:	513.677
Solvation:	-2.50455
Coulombic:	-27.4708

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	282.38
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.09
LogP (Chemaxon):	3.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value