Chemical ID: 5429580

CC(C)CNC(=O)NC(=O)COc1ccc(cc1)C=O
Chemical ID:
5429580
Name [?]:
2-(4-formylphenoxy)-N-(isobutylcarbamoyl)acetamide
SMILES [?]:
CC(C)CNC(=O)NC(=O)COc1ccc(cc1)C=O
InChi [?]:
InChI=1/C14H18N2O4/c1-10(2)7-15-14(19)16-13(18)9-20-12-5-3-11(8-17)4-6-12/h3-6,8,10H,7,9H2,1-2H3,(H2,15,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,15,17,14,18,4,19,11,2,16,13,9,6,5,8,20,10,7,12/E:(1,2)(3,4)(5,6)/rA:20nCCCCNCONCOCOCCCCCCCO/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N2O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:5.34994
Area:509.112
Solvation:-7.37785
Coulombic:-54.9875
Bond Count [?]
All:20
Single:14
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:278.304
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.97
LogP (Chemaxon):1.33

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Descriptor Annotations

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