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Chemical ID: 7038751

Chemical ID:

7038751

Name [?]:

N-[acetamido-(4-benzyloxyphenyl)-methyl]acetamide

SMILES [?]:

CC(=O)NC(c1ccc(cc1)OCc2ccccc2)NC(=O)C

InChi [?]:

InChI=1/C18H20N2O3/c1-13(21)19-18(20-14(2)22)16-8-10-17(11-9-16)23-12-15-6-4-3-5-7-15/h3-11,18H,12H2,1-2H3,(H,19,21)(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,23,17,16,18,15,19,7,11,8,10,13,2,21,14,6,9,5,4,20,3,22,12/E:(1,2)(4,5)(6,7)(8,9)(10,11)(13,14)(19,20)(21,22)/gE:(1,2)/rA:23nCCONCCCCCCCOCCCCCCCNCOC/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;d15;s16;d17;d14s18;s5;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀N₂O₃
All Atoms:	43
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.2962
Area:	543.794
Solvation:	-5.29864
Coulombic:	-47.9496

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	312.363
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.78
LogP (Chemaxon):	1.89

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value