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Chemical ID: 5896678

CN(C)CCCNC(=O)c1cc(ccc1N2CCCC2)NC(=O)Cc3ccccc3

Chemical ID:

5896678

Name [?]:

N-(3-dimethylaminopropyl)-5-(2-phenylacetyl)amino-2-pyrrolidin-1-yl-benzamide

SMILES [?]:

CN(C)CCCNC(=O)c1cc(ccc1N2CCCC2)NC(=O)Cc3ccccc3

InChi [?]:

InChI=1/C24H32N4O2/c1-27(2)14-8-13-25-24(30)21-18-20(11-12-22(21)28-15-6-7-16-28)26-23(29)17-19-9-4-3-5-10-19/h3-5,9-12,18H,6-8,13-17H2,1-2H3,(H,25,30)(H,26,29)

InChi Info:

AuxInfo=1/1/N:1,3,28,27,29,18,19,5,26,30,13,14,6,4,17,20,24,11,25,12,10,15,22,8,7,21,2,16,23,9/E:(1,2)(4,5)(6,7)(9,10)(15,16)/rA:30nCNCCCCNCOCCCCCCNCCCCNCOCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s16s19;s12;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₂N₄O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0633
Area:	679.725
Solvation:	-4.92984
Coulombic:	-52.2096

Bond Count [?]

All:	32
Single:	24
Double:	8
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	408.537
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.14
LogP (Chemaxon):	2.74

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