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Chemical ID: 6003898
Chemical ID:
6003898
Name [?]:
N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]-N-propyl-acetamide
SMILES [?]:
CCCN(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C(=O)C
InChi [?]:
InChI=1/C16H23N3O4/c1-4-9-19(12(2)20)11-16(22)17-10-15(21)18-13-5-7-14(23-3)8-6-13/h5-8H,4,9-11H2,1-3H3,(H,17,22)(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,23,20,2,14,18,15,17,3,9,5,21,13,16,10,6,8,12,4,22,11,7,19/E:(5,6)(7,8)/rA:23nCCCNCCONCCONCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s4;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23N3O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.41425 |
Area: | 562.883 |
Solvation: | -5.65782 |
Coulombic: | -62.4971 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 321.372 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 0.46 |
LogP (Chemaxon): | 0.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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