Chemical ID: 4566806

CCC(=O)N(CCC(c1ccc(cc1)OC)C(C)C)Cc2ccc(cc2)OC(C)C
Chemical ID:
4566806
Name [?]:
N-[(4-isopropoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methyl-pentyl]-propanamide
SMILES [?]:
CCC(=O)N(CCC(c1ccc(cc1)OC)C(C)C)Cc2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C26H37NO3/c1-7-26(28)27(18-21-8-12-24(13-9-21)30-20(4)5)17-16-25(19(2)3)22-10-14-23(29-6)15-11-22/h8-15,19-20,25H,7,16-18H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,18,19,29,30,16,2,22,26,10,14,23,25,11,13,7,6,20,17,28,21,9,12,24,8,3,5,4,15,27/E:(2,3)(4,5)(8,9)(10,11)(12,13)(14,15)/rA:30cCCCONCCCCCCCCCOCCCCCCCCCCCOCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s8;s17;s17;s5;s20;s21;d22;s23;d24;d21s25;s24;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H37NO3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.1753
Area:675.092
Solvation:-4.70204
Coulombic:-33.4679
Bond Count [?]
All:31
Single:24
Double:7
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:411.577
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.33
LogP (Chemaxon):5.6

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Descriptor Annotations

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