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Chemical ID: 5595640

Chemical ID:

5595640

Name [?]:

N-[(4-dimethylaminophenyl)methyleneamino]-2-(4-ethoxyphenyl)amino-acetamide

SMILES [?]:

CCOc1ccc(cc1)NCC(=O)NN=Cc2ccc(cc2)N(C)C

InChi [?]:

InChI=1/C19H24N4O2/c1-4-25-18-11-7-16(8-12-18)20-14-19(24)22-21-13-15-5-9-17(10-6-15)23(2)3/h5-13,20H,4,14H2,1-3H3,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,24,25,2,18,22,6,8,19,21,5,9,16,11,17,7,20,4,12,10,15,14,23,13,3/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:25nCCOCCCCCCNCCONNCCCCCCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₄N₄O₂
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.40124
Area:	597.912
Solvation:	-5.54656
Coulombic:	-43.4686

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	340.42
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.95
LogP (Chemaxon):	3.2

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