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Chemical ID: 7349910

CC(C(=O)N1CCC(CC1)C(=O)NC(Cc2ccccc2)C(=O)NCc3ccc(cc3)OC)N

Chemical ID:

7349910

Name [?]:

1-(2-aminopropanoyl)-N-[1-[(4-methoxyphenyl)methylcarbamoyl]-2-phenyl-ethyl]-piperidine-4-carboxamide

SMILES [?]:

CC(C(=O)N1CCC(CC1)C(=O)NC(Cc2ccccc2)C(=O)NCc3ccc(cc3)OC)N

InChi [?]:

InChI=1/C26H34N4O4/c1-18(27)26(33)30-14-12-21(13-15-30)24(31)29-23(16-19-6-4-3-5-7-19)25(32)28-17-20-8-10-22(34-2)11-9-20/h3-11,18,21,23H,12-17,27H2,1-2H3,(H,28,32)(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,33,19,18,20,17,21,27,31,28,30,7,9,6,10,15,25,2,16,26,8,29,14,11,22,3,34,24,13,5,12,23,4,32/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:34cCCCONCCCCCCONCCCCCCCCCONCCCCCCCOCN/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s8;d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;s14;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s29;s32;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₄N₄O₄
All Atoms:	68
Heavy Atoms:	34
Chiral Atoms:	2

ZAP Information [?]

Total:	11.8193
Area:	724.467
Solvation:	-6.29243
Coulombic:	-78.2616

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	12
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	466.573
H-Bond Donors:	4
H-Bond Acceptors:	8
XLogP:	1.75
LogP (Chemaxon):	1.2

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