Chemical ID: 6003765

CC(C)N(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C(=O)CC(C)(C)C
Chemical ID:
6003765
Name [?]:
N-isopropyl-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]-3,3-dimethyl-butanamide
SMILES [?]:
CC(C)N(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C(=O)CC(C)(C)C
InChi [?]:
InChI=1/C20H31N3O4/c1-14(2)23(19(26)11-20(3,4)5)13-18(25)21-12-17(24)22-15-7-9-16(27-6)10-8-15/h7-10,14H,11-13H2,1-6H3,(H,21,25)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,25,26,27,20,14,18,15,17,23,9,5,2,13,16,10,6,21,24,8,12,4,11,7,22,19/E:(1,2)(3,4,5)(7,8)(9,10)/rA:27nCCCNCCONCCONCCCCCCOCCOCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s4;d21;s21;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H31N3O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.4751
Area:626.953
Solvation:-5.19867
Coulombic:-64.2886
Bond Count [?]
All:27
Single:21
Double:6
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:377.478
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.5
LogP (Chemaxon):1.76

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