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Chemical ID: 7039121

Cc1ccc(cc1)C(=O)NC(c2ccccc2OC)NC(=O)c3ccc(cc3)C

Chemical ID:

7039121

Name [?]:

N-[(2-methoxyphenyl)-(4-methylbenzoyl)amino-methyl]-4-methyl-benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)NC(c2ccccc2OC)NC(=O)c3ccc(cc3)C

InChi [?]:

InChI=1/C24H24N2O3/c1-16-8-12-18(13-9-16)23(27)25-22(20-6-4-5-7-21(20)29-3)26-24(28)19-14-10-17(2)11-15-19/h4-15,22H,1-3H3,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,29,19,14,15,13,16,3,7,25,27,4,6,24,28,2,26,5,23,12,17,11,8,21,10,20,9,22,18/E:(1,2)(8,9,10,11)(12,13,14,15)(16,17)(18,19)(23,24)(25,26)(27,28)/gE:(1,2)/rA:29nCCCCCCCCONCCCCCCCOCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s11;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄N₂O₃
All Atoms:	53
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9957
Area:	618.948
Solvation:	-4.47803
Coulombic:	-53.3212

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	388.459
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.38
LogP (Chemaxon):	4.51

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

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

Chemical Mix	Source	External ID	Descriptor	Value