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Chemical ID: 3968943

Chemical ID:

3968943

Name [?]:

N-ethyl-3-hydroxy-2-phenyl-N-(4-pyridylmethyl)propanamide

SMILES [?]:

CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2

InChi [?]:

InChI=1/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,19,18,20,17,21,6,10,7,9,4,14,5,16,13,11,8,3,15,12/E:(4,5)(6,7)(8,9)(10,11)/rA:21cCCNCCCCNCCCOCCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;s14;s13;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₀N₂O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	8.23125
Area:	476.533
Solvation:	-3.68208
Coulombic:	-38.8836

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	284.353
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	1.34
LogP (Chemaxon):	1.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value