Chemical ID: 5876498

CC(C)C(=O)NCCCN(c1ccccc1)C(=O)Nc2ccccc2OC
Chemical ID:
5876498
Name [?]:
N-[3-[(2-methoxyphenyl)carbamoyl-phenyl-amino]propyl]-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)NCCCN(c1ccccc1)C(=O)Nc2ccccc2OC
InChi [?]:
InChI=1/C21H27N3O3/c1-16(2)20(25)22-14-9-15-24(17-10-5-4-6-11-17)21(26)23-18-12-7-8-13-19(18)27-3/h4-8,10-13,16H,9,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,3,27,14,13,15,22,23,8,12,16,21,24,7,9,2,11,20,25,4,17,6,19,10,5,18,26/E:(1,2)(5,6)(10,11)/rA:27nCCCCONCCCNCCCCCCCONCCCCCCOC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s10;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.5926
Area:622.118
Solvation:-3.96035
Coulombic:-60.1065
Bond Count [?]
All:28
Single:20
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:369.457
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.94
LogP (Chemaxon):3.3

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