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Chemical ID: 7277745

Chemical ID:

7277745

Name [?]:

3-acetamido-N-(4-diethylaminophenyl)-propanamide

SMILES [?]:

CCN(CC)c1ccc(cc1)NC(=O)CCNC(=O)C

InChi [?]:

InChI=1/C15H23N3O2/c1-4-18(5-2)14-8-6-13(7-9-14)17-15(20)10-11-16-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,19)(H,17,20)

InChi Info:

AuxInfo=1/1/N:1,5,20,2,4,8,10,7,11,15,16,18,9,6,13,17,12,3,19,14/E:(1,2)(4,5)(6,7)(8,9)/rA:20nCCNCCCCCCCCNCOCCNCOC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₃N₃O₂
All Atoms:	43
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	9.02146
Area:	512.876
Solvation:	-3.80044
Coulombic:	-44.7603

Bond Count [?]

All:	20
Single:	15
Double:	5
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	277.362
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	1.66
LogP (Chemaxon):	1.43

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value