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Chemical ID: 5553512

Chemical ID:

5553512

Name [?]:

3-(butyl-methyl-amino)-N-(3,5-dimethylphenyl)-propanamide

SMILES [?]:

CCCCN(C)CCC(=O)Nc1cc(cc(c1)C)C

InChi [?]:

InChI=1/C16H26N2O/c1-5-6-8-18(4)9-7-16(19)17-15-11-13(2)10-14(3)12-15/h10-12H,5-9H2,1-4H3,(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,18,19,6,2,3,8,4,7,15,17,13,16,14,12,9,11,5,10/E:(2,3)(11,12)(13,14)/rA:19cCCCCNCCCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₆N₂O
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	10.6058
Area:	509.608
Solvation:	-2.13438
Coulombic:	-25.8917

Bond Count [?]

All:	19
Single:	15
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	262.391
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.18
LogP (Chemaxon):	3.56

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value