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Chemical ID: 7010142

CC(C)C(c1ccc(cc1)[N+](=O)[O-])C(=O)N(Cc2ccccc2)Cc3ccccc3

Chemical ID:

7010142

Name [?]:

N,N-dibenzyl-3-methyl-2-(4-nitrophenyl)-butanamide

SMILES [?]:

CC(C)C(c1ccc(cc1)[N+](=O)[O-])C(=O)N(Cc2ccccc2)Cc3ccccc3

InChi [?]:

InChI=1/C25H26N2O3/c1-19(2)24(22-13-15-23(16-14-22)27(29)30)25(28)26(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-16,19,24H,17-18H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,21,28,20,22,27,29,19,23,26,30,6,10,7,9,17,24,2,18,25,5,8,4,14,16,11,15,12,13/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(20,21)(29,30)/CRV:27.5/rA:30cCCCCCCCCCCN+OO-CONCCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s4;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s16;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆N₂O₃
All Atoms:	56
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	7.82962
Area:	613.176
Solvation:	-7.49979
Coulombic:	-33.5998

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	402.486
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.86
LogP (Chemaxon):	6.1

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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