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Chemical ID: 5901148
Chemical ID:
5901148
Name [?]:
N-[(4-methoxyphenyl)carbamoylmethyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)NCC(=O)Nc1ccc(cc1)OC
InChi [?]:
InChI=1/C14H20N2O3/c1-14(2,3)13(18)15-9-12(17)16-10-5-7-11(19-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,18)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,19,13,17,14,16,8,12,15,9,5,2,7,11,10,6,18/E:(1,2,3)(5,6)(7,8)/rA:19nCCCCCONCCONCCCCCCOC/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.05832 |
Area: | 477.033 |
Solvation: | -3.86749 |
Coulombic: | -48.67 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 264.32 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.11 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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