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Chemical ID: 5908575

Cc1ccc(cc1)C(=O)N(CC(=O)N(CCc2ccccc2)Cc3ccco3)C(C)(C)C

Chemical ID:

5908575

Name [?]:

N-[(2-furylmethyl-phenethyl-carbamoyl)methyl]-4-methyl-N-tert-butyl-benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)N(CC(=O)N(CCc2ccccc2)Cc3ccco3)C(C)(C)C

InChi [?]:

InChI=1/C27H32N2O3/c1-21-12-14-23(15-13-21)26(31)29(27(2,3)4)20-25(30)28(19-24-11-8-18-32-24)17-16-22-9-6-5-7-10-22/h5-15,18H,16-17,19-20H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,30,31,32,20,19,21,26,18,22,25,3,7,4,6,16,15,27,23,11,2,17,5,24,12,8,29,14,10,13,9,28/E:(2,3,4)(6,7)(9,10)(12,13)(14,15)/rA:32nCCCCCCCCONCCONCCCCCCCCCCCCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s14;s23;d24;s25;d26;s24s27;s10;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₂N₂O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4788
Area:	672.411
Solvation:	-4.33151
Coulombic:	-43.4362

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	432.555
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.89
LogP (Chemaxon):	4.41

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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