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Chemical ID: 6032272

CCCCN(CCC(=O)NCCc1ccccc1)C(=O)c2cc(oc2C)C

Chemical ID:

6032272

Name [?]:

N-butyl-2,5-dimethyl-N-[2-(phenethylcarbamoyl)ethyl]furan-3-carboxamide

SMILES [?]:

CCCCN(CCC(=O)NCCc1ccccc1)C(=O)c2cc(oc2C)C

InChi [?]:

InChI=1/C22H30N2O3/c1-4-5-14-24(22(26)20-16-17(2)27-18(20)3)15-12-21(25)23-13-11-19-9-7-6-8-10-19/h6-10,16H,4-5,11-15H2,1-3H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,27,26,2,3,16,15,17,14,18,12,7,11,4,6,22,23,25,13,21,8,19,10,5,9,20,24/E:(7,8)(9,10)/rA:27nCCCCNCCCONCCCCCCCCCOCCCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s5;d19;s19;s21;d22;s23;d21s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₃₀N₂O₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6398
Area:	654.942
Solvation:	-3.73376
Coulombic:	-45.3763

Bond Count [?]

All:	28
Single:	21
Double:	7
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	370.485
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.19
LogP (Chemaxon):	2.74

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