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Chemical ID: 6326440

Chemical ID:

6326440

Name [?]:

4-(4-aminobenzoyl)amino-N,N-diethyl-benzamide

SMILES [?]:

CCN(CC)C(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)N

InChi [?]:

InChI=1/C18H21N3O2/c1-3-21(4-2)18(23)14-7-11-16(12-8-14)20-17(22)13-5-9-15(19)10-6-13/h5-12H,3-4,19H2,1-2H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,18,22,9,13,19,21,10,12,17,8,20,11,15,6,23,14,3,16,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:23nCCNCCCOCCCCCCNCOCCCCCCN/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁N₃O₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3562
Area:	532.255
Solvation:	-2.95017
Coulombic:	-55.8998

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	311.378
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	2.57
LogP (Chemaxon):	2.15

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