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Chemical ID: 6870176

Chemical ID:

6870176

Name [?]:

(4-ethylphenyl)carbamoylmethyl-(3-methoxypropyl)ammonium

SMILES [?]:

CCc1ccc(cc1)NC(=O)C[NH2+]CCCOC

InChi [?]:

InChI=1/C14H22N2O2/c1-3-12-5-7-13(8-6-12)16-14(17)11-15-9-4-10-18-2/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17)/p+1

InChi Info:

AuxInfo=1/1/N:1,18,2,15,4,8,5,7,14,16,12,3,6,10,13,9,11,17/E:(5,6)(7,8)/rA:18nCCCCCCCCNCOCN+CCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₃N₂O₂₊
All Atoms:	41
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	-25.643
Area:	491.713
Solvation:	-37.9358
Coulombic:	10.0878

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	251.345
H-Bond Donors:	3
H-Bond Acceptors:	4
XLogP:	1.63
LogP (Chemaxon):	1.63

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