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Chemical ID: 7282723

CCNc1ccc(cc1[N+](=O)[O-])C(=O)NCC(C)(C)N2CCOCC2

Chemical ID:

7282723

Name [?]:

4-ethylamino-N-(2-methyl-2-morpholino-propyl)-3-nitro-benzamide

SMILES [?]:

CCNc1ccc(cc1[N+](=O)[O-])C(=O)NCC(C)(C)N2CCOCC2

InChi [?]:

InChI=1/C17H26N4O4/c1-4-18-14-6-5-13(11-15(14)21(23)24)16(22)19-12-17(2,3)20-7-9-25-10-8-20/h5-6,11,18H,4,7-10,12H2,1-3H3,(H,19,22)

InChi Info:

AuxInfo=1/1/N:1,18,19,2,6,5,21,25,22,24,8,16,7,4,9,13,17,3,15,20,10,14,11,12,23/E:(2,3)(7,8)(9,10)(23,24)/CRV:21.5/rA:25nCCNCCCCCCN+OO-CONCCCCNCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s7;d13;s13;s15;s16;s17;s17;s17;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₆N₄O₄
All Atoms:	51
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	5.44157
Area:	573.402
Solvation:	-8.89348
Coulombic:	-58.3719

Bond Count [?]

All:	26
Single:	21
Double:	5
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	350.413
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	2.24
LogP (Chemaxon):	1.59

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