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Chemical ID: 5800762

c1ccc(cc1)CC(=O)NC(c2ccc(cc2)OCc3ccccc3)NC(=O)Cc4ccccc4

Chemical ID:

5800762

Name [?]:

N-[(4-benzyloxyphenyl)-(2-phenylacetyl)amino-methyl]-2-phenyl-acetamide

SMILES [?]:

c1ccc(cc1)CC(=O)NC(c2ccc(cc2)OCc3ccccc3)NC(=O)Cc4ccccc4

InChi [?]:

InChI=1/C30H28N2O3/c33-28(20-23-10-4-1-5-11-23)31-30(32-29(34)21-24-12-6-2-7-13-24)26-16-18-27(19-17-26)35-22-25-14-8-3-9-15-25/h1-19,30H,20-22H2,(H,31,33)(H,32,34)

InChi Info:

AuxInfo=1/1/N:1,33,23,2,6,32,34,22,24,3,5,31,35,21,25,13,17,14,16,7,29,19,4,30,20,12,15,8,27,11,10,26,9,28,18/E:(1,2)(4,5,6,7)(8,9)(10,11,12,13)(14,15)(16,17)(18,19)(20,21)(23,24)(28,29)(31,32)(33,34)/gE:(1,2)/rA:35nCCCCCCCCONCCCCCCCOCCCCCCCNCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s19;s20;d21;s22;d23;d20s24;s11;s26;d27;s27;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₈N₂O₃
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	12.449
Area:	755.666
Solvation:	-6.44265
Coulombic:	-51.868

Bond Count [?]

All:	38
Single:	24
Double:	14
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	464.555
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.84
LogP (Chemaxon):	5.58

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