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Chemical ID: 6473312

Chemical ID:

6473312

Name [?]:

3-phenyl-N-(1-tetralin-2-ylethyl)propanamide

SMILES [?]:

CC(c1ccc2c(c1)CCCC2)NC(=O)CCc3ccccc3

InChi [?]:

InChI=1/C21H25NO/c1-16(19-13-12-18-9-5-6-10-20(18)15-19)22-21(23)14-11-17-7-3-2-4-8-17/h2-4,7-8,12-13,15-16H,5-6,9-11,14H2,1H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,21,20,22,11,10,19,23,12,9,17,5,4,16,8,2,18,6,3,7,14,13,15/E:(3,4)(7,8)/rA:23cCCCCCCCCCCCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s6s11;s2;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₅NO
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	11.5851
Area:	545.312
Solvation:	-2.04768
Coulombic:	-23.6658

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	307.429
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.11
LogP (Chemaxon):	4.87

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