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Chemical ID: 4677951

Chemical ID:

4677951

Name [?]:

4-methyl-N-(1-phenylpentyl)benzamide

SMILES [?]:

CCCCC(c1ccccc1)NC(=O)c2ccc(cc2)C

InChi [?]:

InChI=1/C19H23NO/c1-3-4-10-18(16-8-6-5-7-9-16)20-19(21)17-13-11-15(2)12-14-17/h5-9,11-14,18H,3-4,10H2,1-2H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,21,2,3,9,8,10,7,11,4,17,19,16,20,18,6,15,5,13,12,14/E:(6,7)(8,9)(11,12)(13,14)/rA:21cCCCCCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s5;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₃NO
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	11.2608
Area:	515.776
Solvation:	-1.63364
Coulombic:	-26.1913

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	281.392
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.6
LogP (Chemaxon):	4.86

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