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Chemical ID: 5901168
Chemical ID:
5901168
Name [?]:
N-[(4-methoxyphenyl)carbamoylmethyl]-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)NCC(=O)Nc1ccc(cc1)OC
InChi [?]:
InChI=1/C14H20N2O3/c1-10(2)8-13(17)15-9-14(18)16-11-4-6-12(19-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,19,13,17,14,16,4,8,2,12,15,5,9,7,11,6,10,18/E:(1,2)(4,5)(6,7)/rA:19nCCCCCONCCONCCCCCCOC/rB:s1;s2;s2;s4;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: | 8.1669 |
Area: | 484.035 |
Solvation: | -3.93397 |
Coulombic: | -48.0905 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 264.32 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.69 |
LogP (Chemaxon): | 1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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