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Chemical ID: 6617439
Chemical ID:
6617439
Name [?]:
N-(4-amino-2-methoxy-phenyl)propanamide
SMILES [?]:
CCC(=O)Nc1ccc(cc1OC)N
InChi [?]:
InChI=1/C10H14N2O2/c1-3-10(13)12-8-5-4-7(11)6-9(8)14-2/h4-6H,3,11H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,2,8,7,10,9,6,11,3,14,5,4,12/rA:14nCCCONCCCCCCOCN/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.37622 |
Area: | 372.25 |
Solvation: | -2.93002 |
Coulombic: | -43.4702 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.23 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.2 |
LogP (Chemaxon): | 0.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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