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Chemical ID: 5911156

Chemical ID:

5911156

Name [?]:

N-benzyl-N-(2-furylmethyl)-3-phenyl-propanamide

SMILES [?]:

c1ccc(cc1)CCC(=O)N(Cc2ccccc2)Cc3ccco3

InChi [?]:

InChI=1/C21H21NO2/c23-21(14-13-18-8-3-1-4-9-18)22(17-20-12-7-15-24-20)16-19-10-5-2-6-11-19/h1-12,15H,13-14,16-17H2

InChi Info:

AuxInfo=1/0/N:1,16,2,6,15,17,22,3,5,14,18,21,7,8,23,12,19,4,13,20,9,11,10,24/E:(3,4)(5,6)(8,9)(10,11)/rA:24nCCCCCCCCCONCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₁NO₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4243
Area:	547.627
Solvation:	-3.26633
Coulombic:	-25.9099

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	319.397
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.67
LogP (Chemaxon):	4.2

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