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Chemical ID: 7098018

CC(=O)NC(Cc1ccc(cc1)OC)C(=O)NC2CCN(CC2)C(=O)C3CC3

Chemical ID:

7098018

Name [?]:

2-acetamido-N-(1-cyclopropylcarbonyl-4-piperidyl)-3-(4-methoxyphenyl)-propanamide

SMILES [?]:

CC(=O)NC(Cc1ccc(cc1)OC)C(=O)NC2CCN(CC2)C(=O)C3CC3

InChi [?]:

InChI=1/C21H29N3O4/c1-14(25)22-19(13-15-3-7-18(28-2)8-4-15)20(26)23-17-9-11-24(12-10-17)21(27)16-5-6-16/h3-4,7-8,16-17,19H,5-6,9-13H2,1-2H3,(H,22,25)(H,23,26)

InChi Info:

AuxInfo=1/1/N:1,14,8,12,27,28,9,11,19,23,20,22,6,2,7,26,18,10,5,15,24,4,17,21,3,16,25,13/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:28cCCONCCCCCCCCOCCONCCCNCCCOCCC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s5;d15;s15;s17;s18;s19;s20;s21;s18s22;s21;d24;s24;s26;s26s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₉N₃O₄
All Atoms:	57
Heavy Atoms:	28
Chiral Atoms:	1

ZAP Information [?]

Total:	9.27993
Area:	624.42
Solvation:	-6.33058
Coulombic:	-62.356

Bond Count [?]

All:	30
Single:	24
Double:	6
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	387.473
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	1.16
LogP (Chemaxon):	0.07

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