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Chemical ID: 4567520

Cc1ccc(cc1)C(CCNC(=O)CC(c2ccccc2)C3CCOCC3(C)C)c4ccco4

Chemical ID:

4567520

Name [?]:

3-(3,3-dimethyltetrahydropyran-4-yl)-N-[3-(2-furyl)-3-(p-tolyl)propyl]-3-phenyl-propanamide

SMILES [?]:

Cc1ccc(cc1)C(CCNC(=O)CC(c2ccccc2)C3CCOCC3(C)C)c4ccco4

InChi [?]:

InChI=1/C30H37NO3/c1-22-11-13-24(14-12-22)25(28-10-7-18-34-28)15-17-31-29(32)20-26(23-8-5-4-6-9-23)27-16-19-33-21-30(27,2)3/h4-14,18,25-27H,15-17,19-21H2,1-3H3,(H,31,32)

InChi Info:

AuxInfo=1/1/N:1,28,29,19,18,20,32,17,21,31,3,7,4,6,9,23,10,33,24,14,26,2,16,5,8,15,22,30,12,27,11,13,25,34/E:(2,3)(5,6)(8,9)(11,12)(13,14)/rA:34cCCCCCCCCCCNCOCCCCCCCCCCCOCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s15;s22;s23;s24;s25;s22s26;s27;s27;s8;d30;s31;d32;s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₇NO₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	3

ZAP Information [?]

Total:	12.8318
Area:	709.381
Solvation:	-4.90274
Coulombic:	-38.6323

Bond Count [?]

All:	37
Single:	28
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	459.62
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.37
LogP (Chemaxon):	5.78

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