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Chemical ID: 6014590

CCCN(CC(=O)N(Cc1ccccc1)Cc2ccc(o2)C)C(=O)c3ccccc3

Chemical ID:

6014590

Name [?]:

N-[[benzyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-N-propyl-benzamide

SMILES [?]:

CCCN(CC(=O)N(Cc1ccccc1)Cc2ccc(o2)C)C(=O)c3ccccc3

InChi [?]:

InChI=1/C25H28N2O3/c1-3-16-26(25(29)22-12-8-5-9-13-22)19-24(28)27(17-21-10-6-4-7-11-21)18-23-15-14-20(2)30-23/h4-15H,3,16-19H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,22,2,13,28,12,14,27,29,11,15,26,30,19,18,3,9,16,5,20,10,25,17,6,23,4,8,7,24,21/E:(6,7)(8,9)(10,11)(12,13)/rA:30nCCCNCCONCCCCCCCCCCCCOCCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s18;d19;s17s20;s20;s4;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₈N₂O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5086
Area:	620.747
Solvation:	-4.0101
Coulombic:	-43.7046

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	404.501
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.02
LogP (Chemaxon):	3.69

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