Chemical ID: 7038297

CCCCCOc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)C)NC(=O)c3ccc(cc3)C
Chemical ID:
7038297
Name [?]:
N-[(3-methoxy-4-pentoxy-phenyl)-(4-methylbenzoyl)amino-methyl]-4-methyl-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)C)NC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C29H34N2O4/c1-5-6-7-18-35-25-17-16-24(19-26(25)34-4)27(30-28(32)22-12-8-20(2)9-13-22)31-29(33)23-14-10-21(3)11-15-23/h8-17,19,27H,5-7,18H2,1-4H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,25,35,14,2,3,4,21,23,31,33,20,24,30,34,9,8,5,11,22,32,19,29,10,7,12,15,17,27,16,26,18,28,13,6/E:(2,3)(8,9,10,11)(12,13,14,15)(20,21)(22,23)(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;s22;s15;s26;d27;s27;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H34N2O4
All Atoms:69
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:12.9768
Area:782.058
Solvation:-6.57463
Coulombic:-60.8264
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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