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Chemical ID: 4210592
Chemical ID:
4210592
Name [?]:
3-methyl-N-(3-propanoylaminophenyl)-butanamide
SMILES [?]:
CCC(=O)Nc1cccc(c1)NC(=O)CC(C)C
InChi [?]:
InChI=1/C14H20N2O2/c1-4-13(17)15-11-6-5-7-12(9-11)16-14(18)8-10(2)3/h5-7,9-10H,4,8H2,1-3H3,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,17,18,2,8,7,9,15,11,16,6,10,3,13,5,12,4,14/E:(2,3)/rA:18nCCCONCCCCCCNCOCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.44277 |
Area: | 460.018 |
Solvation: | -3.05768 |
Coulombic: | -39.5521 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 248.321 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.11 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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