Chemical ID: 7491544

CCCN(CCC)C(=O)C(C)Oc1cc(ccc1C)C
Chemical ID:
7491544
Name [?]:
2-(2,5-dimethylphenoxy)-N,N-dipropyl-propanamide
SMILES [?]:
CCCN(CCC)C(=O)C(C)Oc1cc(ccc1C)C
InChi [?]:
InChI=1/C17H27NO2/c1-6-10-18(11-7-2)17(19)15(5)20-16-12-13(3)8-9-14(16)4/h8-9,12,15H,6-7,10-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,7,20,19,11,2,6,16,17,3,5,14,15,18,10,13,8,4,9,12/E:(1,2)(6,7)(10,11)/rA:20cCCCNCCCCOCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s10;s12;s13;d14;s15;d16;d13s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27NO2
All Atoms:47
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.3465
Area:502.422
Solvation:-3.21405
Coulombic:-26.0738
Bond Count [?]
All:20
Single:16
Double:4
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:277.402
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.0
LogP (Chemaxon):4.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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