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Chemical ID: 5907986
Chemical ID:
5907986
Name [?]:
N-(phenylcarbamoylmethylcarbamoylmethyl)-N-propyl-butanamide
SMILES [?]:
CCCC(=O)N(CCC)CC(=O)NCC(=O)Nc1ccccc1
InChi [?]:
InChI=1/C17H25N3O3/c1-3-8-17(23)20(11-4-2)13-16(22)18-12-15(21)19-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,18,22)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,9,2,8,21,20,22,3,19,23,7,14,10,18,15,11,4,13,17,6,16,12,5/E:(6,7)(9,10)/rA:23nCCCCONCCCCCONCCONCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6;s10;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25N3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2079 |
Area: | 575.997 |
Solvation: | -4.19203 |
Coulombic: | -57.7237 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 319.399 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.37 |
LogP (Chemaxon): | 1.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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