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Chemical ID: 6032402

CCCN(CCC(=O)NC1CCN(CC1)Cc2ccccc2)C(=O)c3ccoc3C

Chemical ID:

6032402

Name [?]:

N-[2-[(1-benzyl-4-piperidyl)carbamoyl]ethyl]-2-methyl-N-propyl-furan-3-carboxamide

SMILES [?]:

CCCN(CCC(=O)NC1CCN(CC1)Cc2ccccc2)C(=O)c3ccoc3C

InChi [?]:

InChI=1/C24H33N3O3/c1-3-13-27(24(29)22-12-17-30-19(22)2)16-11-23(28)25-21-9-14-26(15-10-21)18-20-7-5-4-6-8-20/h4-8,12,17,21H,3,9-11,13-16,18H2,1-2H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,30,2,20,19,21,18,22,11,15,6,26,3,12,14,5,27,16,29,17,10,25,7,23,9,13,4,8,24,28/E:(5,6)(7,8)(9,10)(14,15)/rA:30nCCCNCCCONCCCNCCCCCCCCCCOCCCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s4;d23;s23;s25;d26;s27;d25s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₃N₃O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.7143
Area:	682.298
Solvation:	-4.3431
Coulombic:	-49.7852

Bond Count [?]

All:	32
Single:	25
Double:	7
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	411.537
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.63
LogP (Chemaxon):	2.06

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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