Chemical ID: 6003899

CCCN(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C(=O)C2CCCCC2
Chemical ID:
6003899
Name [?]:
N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]-N-propyl-cyclohexanecarboxamide
SMILES [?]:
CCCN(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C(=O)C2CCCCC2
InChi [?]:
InChI=1/C21H31N3O4/c1-3-13-24(21(27)16-7-5-4-6-8-16)15-20(26)22-14-19(25)23-17-9-11-18(28-2)12-10-17/h9-12,16H,3-8,13-15H2,1-2H3,(H,22,26)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,20,2,26,25,27,24,28,14,18,15,17,3,9,5,23,13,16,10,6,21,8,12,4,11,7,22,19/E:(5,6)(7,8)(9,10)(11,12)/rA:28nCCCNCCONCCONCCCCCCOCCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s4;d21;s21;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H31N3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.4342
Area:640.151
Solvation:-5.56956
Coulombic:-64.3792
Bond Count [?]
All:29
Single:23
Double:6
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:389.489
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.37
LogP (Chemaxon):1.9

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