Chemical ID: 6003908

CCCCC(CC)C(=O)N(CCC)CC(=O)NCC(=O)Nc1ccc(cc1)OC
Chemical ID:
6003908
Name [?]:
2-ethyl-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]-N-propyl-hexanamide
SMILES [?]:
CCCCC(CC)C(=O)N(CCC)CC(=O)NCC(=O)Nc1ccc(cc1)OC
InChi [?]:
InChI=1/C22H35N3O4/c1-5-8-9-17(7-3)22(28)25(14-6-2)16-21(27)23-15-20(26)24-18-10-12-19(29-4)13-11-18/h10-13,17H,5-9,14-16H2,1-4H3,(H,23,27)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,13,7,29,2,12,6,3,4,23,27,24,26,11,18,14,5,22,25,19,15,8,17,21,10,20,16,9,28/E:(10,11)(12,13)/rA:29cCCCCCCCCONCCCCCONCCONCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s10;s14;d15;s15;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H35N3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.839
Area:694.825
Solvation:-5.53162
Coulombic:-65.1531
Bond Count [?]
All:29
Single:23
Double:6
Rotors:16
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:405.531
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.28
LogP (Chemaxon):2.8

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Descriptor Annotations

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