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Chemical ID: 5999713

CCCN(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)CCC3CCCC3

Chemical ID:

5999713

Name [?]:

N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-3-cyclopentyl-N-propyl-propanamide

SMILES [?]:

CCCN(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)CCC3CCCC3

InChi [?]:

InChI=1/C22H30ClN3O3/c1-2-13-24(20(27)12-7-17-5-3-4-6-17)14-21(28)25-15-22(29)26(16-25)19-10-8-18(23)9-11-19/h8-11,17H,2-7,12-16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,27,28,26,29,24,16,18,15,19,23,3,5,9,13,25,17,14,21,6,10,20,4,8,12,22,7,11/E:(3,4)(5,6)(8,9)(10,11)/rA:29nCCCNCCONCCONCCCCCCCClCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s8s12;s12;s14;d15;s16;d17;d14s18;s17;s4;d21;s21;s23;s24;s25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₃₀ClN₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.647
Area:	676.845
Solvation:	-4.2741
Coulombic:	-49.4988

Bond Count [?]

All:	31
Single:	25
Double:	6
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	419.945
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	4.07
LogP (Chemaxon):	3.04

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

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

Chemical Mix	Source	External ID	Descriptor	Value