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Chemical ID: 7038062

CCCCCCOc1ccc(cc1OC)C(NC(=O)c2ccccc2C)NC(=O)c3ccccc3C

Chemical ID:

7038062

Name [?]:

N-[(4-hexoxy-3-methoxy-phenyl)-(2-methylbenzoyl)amino-methyl]-2-methyl-benzamide

SMILES [?]:

CCCCCCOc1ccc(cc1OC)C(NC(=O)c2ccccc2C)NC(=O)c3ccccc3C

InChi [?]:

InChI=1/C30H36N2O4/c1-5-6-7-12-19-36-26-18-17-23(20-27(26)35-4)28(31-29(33)24-15-10-8-13-21(24)2)32-30(34)25-16-11-9-14-22(25)3/h8-11,13-18,20,28H,5-7,12,19H2,1-4H3,(H,31,33)(H,32,34)

InChi Info:

AuxInfo=1/1/N:1,26,36,15,2,3,4,23,33,22,32,5,24,34,21,31,10,9,6,12,25,35,11,20,30,8,13,16,18,28,17,27,19,29,14,7/E:(2,3)(8,9)(10,11)(13,14)(15,16)(21,22)(24,25)(29,30)(31,32)(33,34)/gE:(1,2)/rA:36nCCCCCCOCCCCCCOCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s16;s27;d28;s28;s30;d31;s32;d33;d30s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₆N₂O₄
All Atoms:	72
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2888
Area:	787.762
Solvation:	-6.40528
Coulombic:	-61.4807

Bond Count [?]

All:	38
Single:	27
Double:	11
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	488.618
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	7.52
LogP (Chemaxon):	6.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value