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Chemical ID: 5174458

COc1ccc(cc1)C(=O)Nc2ccc(cc2)C34CC5CC(C3)CC(C5)C4

Chemical ID:

5174458

Name [?]:

N-[4-(1-adamantyl)phenyl]-4-methoxy-benzamide

SMILES [?]:

COc1ccc(cc1)C(=O)Nc2ccc(cc2)C34CC5CC(C3)CC(C5)C4

InChi [?]:

InChI=1/C24H27NO2/c1-27-22-8-2-19(3-9-22)23(26)25-21-6-4-20(5-7-21)24-13-16-10-17(14-24)12-18(11-16)15-24/h2-9,16-18H,10-15H2,1H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,5,7,14,16,13,17,4,8,21,24,26,23,19,27,22,20,25,6,15,12,3,9,18,11,10,2/E:(2,3)(4,5)(6,7)(8,9)(10,11,12)(13,14,15)(16,17,18)/rA:27nCOCCCCCCCONCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;s19;s20;s21;s18s22;s22;s24;s20s25;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₇NO₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.984
Area:	562.727
Solvation:	-3.08416
Coulombic:	-31.1397

Bond Count [?]

All:	31
Single:	24
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	361.477
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.88
LogP (Chemaxon):	5.15

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value