Chemical ID: 7038296

CCCCCOc1ccc(cc1OC)C(NC(=O)c2cccc(c2)C)NC(=O)c3cccc(c3)C
Chemical ID:
7038296
Name [?]:
N-[(3-methoxy-4-pentoxy-phenyl)-(3-methylbenzoyl)amino-methyl]-3-methyl-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1OC)C(NC(=O)c2cccc(c2)C)NC(=O)c3cccc(c3)C
InChi [?]:
InChI=1/C29H34N2O4/c1-5-6-7-16-35-25-15-14-22(19-26(25)34-4)27(30-28(32)23-12-8-10-20(2)17-23)31-29(33)24-13-9-11-21(3)18-24/h8-15,17-19,27H,5-7,16H2,1-4H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,25,35,14,2,3,4,21,31,22,32,20,30,9,8,5,24,34,11,23,33,10,19,29,7,12,15,17,27,16,26,18,28,13,6/E:(2,3)(8,9)(10,11)(12,13)(17,18)(20,21)(23,24)(28,29)(30,31)(32,33)/gE:(1,2)/rA:35nCCCCCOCCCCCCOCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s15;s26;d27;s27;s29;d30;s31;d32;d29s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H34N2O4
All Atoms:69
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:12.9575
Area:781.972
Solvation:-6.59182
Coulombic:-60.8554
Bond Count [?]
All:37
Single:26
Double:11
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:474.591
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:6.95
LogP (Chemaxon):5.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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